8818
  -OEChem-05042413032D

 24 24  0     0  0  0  0  0  0999 V2000
    4.5411    1.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -0.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -1.8805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -1.8805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -2.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -3.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -3.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -2.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    0.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984   -0.1482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8871   -0.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856    0.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8818

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
114

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCAgAAACAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-cyclopentylpropanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3-cyclopentylpropanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-cyclopentylpropanoic acid

> <PUBCHEM_IUPAC_NAME>
3-cyclopentylpropanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-cyclopentylpropanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-cyclopentylpropionic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
ZRPLANDPDWYOMZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
142.099379685

> <PUBCHEM_MOLECULAR_FORMULA>
C8H14O2

> <PUBCHEM_MOLECULAR_WEIGHT>
142.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)CCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)CCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
142.099379685

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$