103659
 OpenBabel05082101102D

 31 32  0  0  1  0  0  0  0  0999 V2000
    7.1463   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473    0.1462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8746   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061    1.1121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7695    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.3627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9051    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654   -0.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    0.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9468    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -0.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4991    0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994   -0.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -1.4729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568   -1.5458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837   -2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740   -1.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1093   -2.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9563   -2.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1832   -1.7847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
103659

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
232

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAAAAAADwCAgAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyPCPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 6,6-dimethylnorbornane-2-carboxylate

>  <PUBCHEM_IUPAC_CAS_NAME>
6,6-dimethyl-2-bicyclo[2.2.1]heptanecarboxylic acid methyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

>  <PUBCHEM_IUPAC_NAME>
methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-dimethylnorbornane-2-carboxylic acid methyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H18O2/c1-11(2)6-7-4-8(9(11)5-7)10(12)13-3/h7-9H,4-6H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
ZVLGEOXMDTXXEI-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
182.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
182.26

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2CC(C1C2)C(=O)OC)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2CC(C1C2)C(=O)OC)C

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.13068

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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>
3  6  3
5  9  3
8  12  3

$$$$
