163529
 OpenBabel05082101102D

 32 34  0  0  1  0  0  0  0  0999 V2000
    8.5860   -1.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143   -0.7673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9723    0.1724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6870   -0.1753    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9458    0.7907    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2092    1.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0860   -0.6841    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3448    0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5294   -1.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9789    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -0.8207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7660   -1.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5860   -1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6298   -1.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485    0.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3152    1.2886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270    2.3056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961    1.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9388    0.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5397    0.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1302   -1.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592   -1.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209    0.7537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    0.2419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -1.4360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584   -1.7733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5860   -2.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060   -1.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5860   -0.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
163529

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
251

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAYMGAAAwAAAAAAAYAAAAAAAAGgAAAAAADRSggAICAAAABAAIAAgQgAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyPCOgAAAAAAAAABAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde

>  <PUBCHEM_IUPAC_CAS_NAME>
8-methoxy-4-tricyclo[5.2.1.02,6]decanecarboxaldehyde

>  <PUBCHEM_IUPAC_NAME_MARKUP>
8-methoxytricyclo[5.2.1.0<SUP>2,6</SUP>]decane-4-carbaldehyde

>  <PUBCHEM_IUPAC_NAME>
8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
UOGMZEGKCNHMBF-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.4

>  <PUBCHEM_EXACT_MASS>
194.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
194.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
COC1CC2CC1C3C2CC(C3)C=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
COC1CC2CC1C3C2CC(C3)C=O

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
194.13068

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
8  1  3
12  13  3
3  10  3
4  11  3
5  7  3
6  7  3

$$$$
