61130
  DSViewer          3D                             0

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.6445   -2.6569    0.0601 O   0  0  0  0  0  0  0  0  0  1
    5.3348    0.3675   -0.2501 C   0  0  0  0  0  0  0  0  0  2
    4.3232    1.5170   -0.3513 C   0  0  3  0  0  0  0  0  0  3
    4.3484   -0.2249    0.8021 C   0  0  3  0  0  0  0  0  0  4
    3.9302    1.2495    1.1032 C   0  0  0  0  0  0  0  0  0  5
    3.0848    1.1863   -1.2572 C   0  0  0  0  0  0  0  0  0  6
    3.1356   -0.8604    0.1501 C   0  0  0  0  0  0  0  0  0  7
    5.5892   -0.4709   -1.5440 C   0  0  0  0  0  0  0  0  0  8
    6.6571    0.8252    0.4022 C   0  0  0  0  0  0  0  0  0  9
    2.5065   -0.1820   -0.8246 C   0  0  0  0  0  0  0  0  0 10
    2.6408   -2.1602    0.5961 C   0  0  0  0  0  0  0  0  0 11
    4.7858    2.4984   -0.5247 H   0  0  0  0  0  0  0  0  0 12
    4.8119   -0.7638    1.6398 H   0  0  0  0  0  0  0  0  0 13
    4.5382    1.7608    1.8494 H   0  0  0  0  0  0  0  0  0 14
    2.8745    1.3945    1.3325 H   0  0  0  0  0  0  0  0  0 15
    2.3259    1.9596   -1.1377 H   0  0  0  0  0  0  0  0  0 16
    3.3957    1.1397   -2.3009 H   0  0  0  0  0  0  0  0  0 17
    6.3234   -1.2489   -1.3350 H   0  0  0  0  0  0  0  0  0 18
    5.9659    0.1813   -2.3320 H   0  0  0  0  0  0  0  0  0 19
    4.6558   -0.9308   -1.8689 H   0  0  0  0  0  0  0  0  0 20
    7.3470   -0.0170    0.4557 H   0  0  0  0  0  0  0  0  0 21
    6.4577    1.1953    1.4078 H   0  0  0  0  0  0  0  0  0 22
    7.1016    1.6207   -0.1959 H   0  0  0  0  0  0  0  0  0 23
    1.6116   -0.5854   -1.2983 H   0  0  0  0  0  0  0  0  0 24
    3.1497   -2.6911    1.4006 H   0  0  0  0  0  0  0  0  0 25
  1 11  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6 10  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7 10  2  0  0  0
  7 11  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61130

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGgAAAAAADwCggAICAAAAAACIAihSgAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAYMIiECPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde

> <PUBCHEM_IUPAC_NAME>
6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KMRMUZKLFIEVAO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
150.104

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
150.218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC=C(C1C2)C=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC=C(C1C2)C=O)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
3  2  3
4  2  3

$$$$