440966
 OpenBabel05082101102D

 26 27  0  0  1  0  0  0  0  0999 V2000
    4.8909   -0.2226    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4920   -0.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6321    0.7433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3687    1.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2636   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6056    0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5965   -1.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509    2.2583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819    1.8179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420   -1.0379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -1.3886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7999    0.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1914   -0.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8306   -1.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.3903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263   -0.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131   -1.6611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613   -2.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -1.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    0.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    1.3545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  1  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  6  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  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
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
440966

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
177

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4R)-2,2-dimethyl-3-methylene-norbornane

>  <PUBCHEM_IUPAC_CAS_NAME>
(1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,4<I>R</I>)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

>  <PUBCHEM_IUPAC_NAME>
(1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4R)-2,2-dimethyl-3-methylidene-bicyclo[2.2.1]heptane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4R)-2,2-dimethyl-3-methylene-norbornane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
CRPUJAZIXJMDBK-BDAKNGLRSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
136.125201

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16

>  <PUBCHEM_MOLECULAR_WEIGHT>
136.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC(C2)C1=C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@H]2CC[C@H](C2)C1=C)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125201

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
1  11  5
3  12  6

$$$$
