Ketcher 07081913532D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
   10.5004  -35.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3665  -35.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2325  -35.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986  -35.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9647  -35.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8306  -35.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6345  -35.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2325  -34.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986  -36.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  7  1  0     0  0
  3  8  1  4     0  0
  4  9  1  4     0  0
M  END
> <ID>
CHEBI:144070

> <NAME>
2-hexen-1-ol

> <DEFINITION>
A primary allylic alcohol that is 2-hexene in which a hydrogen at position 1 has been replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
hex-2-en-1-ol; 3-propylallyl alcohol; 2-hexenol; 2-hexen-1-ol

> <IUPAC_NAME>
hex-2-en-1-ol

> <FORMULA>
C6H12O

> <MASS>
100.161

> <MONOISOTOPIC_MASS>
100.08882

> <CHARGE>
0

> <SMILES>
C(CC(=C(CO)[H])[H])C

> <INCHI>
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3

> <INCHIKEY>
ZCHHRLHTBGRGOT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2305-21-7

> <CHEMIDPLUS>
2305-21-7

> <KNAPSACK_ACCESSION>
C00035479

> <NIST_CHEMISTRY_WEBBOOK>
2305-21-7

> <PUBMED_CITATION>
15279990; 30970652; 31260954; 9600267

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