5281167
  DSViewer          3D                             0

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.0993   -0.4565   -0.0007 O   0  0  0  0  0  0  0  0  0  1
    3.5139   -0.2489   -0.0002 C   0  0  0  0  0  0  0  0  0  2
    6.0609    1.0756    0.0002 C   0  0  0  0  0  0  0  0  0  3
    4.7922   -1.0421    0.0004 C   0  0  0  0  0  0  0  0  0  4
    5.9753   -0.4270    0.0006 C   0  0  0  0  0  0  0  0  0  5
    2.3131   -1.2111   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    7.5392    1.5056    0.0007 C   0  0  0  0  0  0  0  0  0  7
    3.4759    0.3794    0.8897 H   0  0  0  0  0  0  0  0  0  8
    3.4763    0.3787   -0.8906 H   0  0  0  0  0  0  0  0  0  9
    5.5691    1.4671   -0.8902 H   0  0  0  0  0  0  0  0  0 10
    5.5684    1.4676    0.8901 H   0  0  0  0  0  0  0  0  0 11
    4.7509   -2.1313    0.0007 H   0  0  0  0  0  0  0  0  0 12
    6.8906   -1.0189    0.0010 H   0  0  0  0  0  0  0  0  0 13
    2.3504   -1.8388    0.8903 H   0  0  0  0  0  0  0  0  0 14
    2.3508   -1.8394   -0.8900 H   0  0  0  0  0  0  0  0  0 15
    7.6015    2.5938    0.0005 H   0  0  0  0  0  0  0  0  0 16
    8.0324    1.1138   -0.8889 H   0  0  0  0  0  0  0  0  0 17
    8.0317    1.1143    0.8909 H   0  0  0  0  0  0  0  0  0 18
    0.3264   -1.0745   -0.0006 H   0  0  0  0  0  0  0  0  0 19
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5 13  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281167

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
48.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAAAAQAAQAAAQAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-hex-3-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-3-hexen-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-hex-3-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-hex-3-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-hex-3-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

> <PUBCHEM_IUPAC_INCHIKEY>
UFLHIIWVXFIJGU-ARJAWSKDSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
100.089

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12O

> <PUBCHEM_MOLECULAR_WEIGHT>
100.159

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC=CCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC/C=C\CCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
100.089

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$
