71358661
  -OEChem-04262409462D

 38 40  0     0  0  0  0  0  0999 V2000
    2.8660    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    1.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    3.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    3.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 38  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71358661

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
305

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAGAAAAAAAAAAwYAAAAAAAAAABAAAAGgAACAAADwCAmAAwCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyOCPwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-cyclohexylphenyl)cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-cyclohexylphenyl)-1-cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-cyclohexylphenyl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
1-(4-cyclohexylphenyl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-cyclohexylphenyl)cyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-cyclohexylphenyl)cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H20O2/c17-15(18)16(10-11-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
HYKNGLWMSOKJNI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
244.146329876

> <PUBCHEM_MOLECULAR_FORMULA>
C16H20O2

> <PUBCHEM_MOLECULAR_WEIGHT>
244.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C2=CC=C(C=C2)C3(CC3)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C2=CC=C(C=C2)C3(CC3)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.146329876

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
11  17  8
11  18  8
15  17  8
16  18  8
6  15  8
6  16  8

$$$$