2537
  DSViewer          3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.6366   -1.5370   -0.4278 O   0  0  0  0  0  0  0  0  0  1
    3.9380    0.4848   -0.3061 C   0  0  0  0  0  0  0  0  0  2
    4.2983   -0.9515   -0.5909 C   0  0  3  0  0  0  0  0  0  3
    4.2330    0.3471    1.2739 C   0  0  3  0  0  0  0  0  0  4
    3.2251   -1.6401    0.3219 C   0  0  0  0  0  0  0  0  0  5
    3.0563   -0.6104    1.5070 C   0  0  0  0  0  0  0  0  0  6
    5.7570    0.0971    1.1184 C   0  0  0  0  0  0  0  0  0  7
    5.6629   -0.9326    0.0325 C   0  0  0  0  0  0  0  0  0  8
    4.8874    1.4930   -1.0123 C   0  0  0  0  0  0  0  0  0  9
    2.4666    0.8322   -0.6821 C   0  0  0  0  0  0  0  0  0 10
    4.2794   -1.4701   -2.0400 C   0  0  0  0  0  0  0  0  0 11
    4.5301   -0.6478    1.6378 H   0  0  0  0  0  0  0  0  0 12
    2.2859   -1.7788   -0.2136 H   0  0  0  0  0  0  0  0  0 13
    3.5813   -2.6033    0.6873 H   0  0  0  0  0  0  0  0  0 14
    3.1353   -1.1054    2.4749 H   0  0  0  0  0  0  0  0  0 15
    2.1023   -0.0870    1.4428 H   0  0  0  0  0  0  0  0  0 16
    6.2956    0.9900    0.8008 H   0  0  0  0  0  0  0  0  0 17
    6.2099   -0.2966    2.0283 H   0  0  0  0  0  0  0  0  0 18
    4.5810    2.5110   -0.7720 H   0  0  0  0  0  0  0  0  0 19
    2.2701    1.8796   -0.4530 H   0  0  0  0  0  0  0  0  0 20
    1.7862    0.2019   -0.1094 H   0  0  0  0  0  0  0  0  0 21
    4.8385    1.3445   -2.0911 H   0  0  0  0  0  0  0  0  0 22
    2.3125    0.6587   -1.7471 H   0  0  0  0  0  0  0  0  0 23
    5.9096    1.3314   -0.6698 H   0  0  0  0  0  0  0  0  0 24
    4.5648   -2.5219   -2.0537 H   0  0  0  0  0  0  0  0  0 25
    4.9835   -0.8952   -2.6414 H   0  0  0  0  0  0  0  0  0 26
    3.2763   -1.3610   -2.4524 H   0  0  0  0  0  0  0  0  0 27
  1  8  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3  8  1  0  0  0
  3 11  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  9 19  1  0  0  0
  9 22  1  0  0  0
  9 24  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 10 23  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2537

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
217

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAAAAAADwSAgAACAAAAAAAIAIAQAAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAEIiMCPgAAAAAAAAACAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,7,7-trimethylnorbornan-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone

> <PUBCHEM_IUPAC_NAME>
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
camphor

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
DSSYKIVIOFKYAU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1(C(=O)C2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1(C(=O)C2)C)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  11  3
4  12  3

$$$$