6616
  DSViewer          3D                             0

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.1402   -0.9146    0.3958 C   0  0  3  0  0  0  0  0  0  1
    5.6831   -0.8089    0.2590 C   0  0  0  0  0  0  0  0  0  2
    4.4569    1.1529   -0.3465 C   0  0  3  0  0  0  0  0  0  3
    3.7944    0.4848    0.9340 C   0  0  0  0  0  0  0  0  0  4
    3.4432   -0.9291   -0.9947 C   0  0  0  0  0  0  0  0  0  5
    3.6104    0.5415   -1.4758 C   0  0  0  0  0  0  0  0  0  6
    5.7781    0.4789   -0.4142 C   0  0  0  0  0  0  0  0  0  7
    6.3737   -0.6962    1.6345 C   0  0  0  0  0  0  0  0  0  8
    6.3360   -1.9788   -0.5078 C   0  0  0  0  0  0  0  0  0  9
    6.9233    1.1245   -0.6146 C   0  0  0  0  0  0  0  0  0 10
    3.8531   -1.7829    1.0047 H   0  0  0  0  0  0  0  0  0 11
    4.5104    2.2494   -0.3919 H   0  0  0  0  0  0  0  0  0 12
    2.7247    0.6717    1.0281 H   0  0  0  0  0  0  0  0  0 13
    4.2912    0.7345    1.8714 H   0  0  0  0  0  0  0  0  0 14
    3.9369   -1.6236   -1.6745 H   0  0  0  0  0  0  0  0  0 15
    2.3902   -1.1956   -0.9038 H   0  0  0  0  0  0  0  0  0 16
    2.6459    1.0417   -1.5628 H   0  0  0  0  0  0  0  0  0 17
    4.1322    0.5885   -2.4316 H   0  0  0  0  0  0  0  0  0 18
    7.4140   -1.8252   -0.5568 H   0  0  0  0  0  0  0  0  0 19
    5.9296   -2.0234   -1.5182 H   0  0  0  0  0  0  0  0  0 20
    6.1262   -2.9150    0.0095 H   0  0  0  0  0  0  0  0  0 21
    7.4523   -0.6243    1.4953 H   0  0  0  0  0  0  0  0  0 22
    6.1429   -1.5790    2.2308 H   0  0  0  0  0  0  0  0  0 23
    6.0142    0.1943    2.1502 H   0  0  0  0  0  0  0  0  0 24
    7.8611    0.6913   -0.2669 H   0  0  0  0  0  0  0  0  0 25
    6.9241    2.0868   -1.1264 H   0  0  0  0  0  0  0  0  0 26
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1 11  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3  7  1  0  0  0
  3 12  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 10  2  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6616

> <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>
2,2-dimethyl-3-methylene-norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3-dimethyl-2-methylidene-bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
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

> <PUBCHEM_IUPAC_INCHIKEY>
CRPUJAZIXJMDBK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.234

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  2  3
3  7  3

$$$$
