Ketcher 03262011302D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
   14.9833  -22.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2511  -22.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6530  -21.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3851  -21.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190  -22.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1171  -21.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870  -22.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190  -23.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3851  -20.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  2  4  1  0     0  0
  2  6  1  0     0  0
  3  5  1  0     0  0
  3  7  1  0     0  0
  4  5  2  0     0  0
  5  8  1  4     0  0
  4  9  1  4     0  0
M  END
> <ID>
CHEBI:145715

> <NAME>
hex-3-en-1-ol

> <DEFINITION>
A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1.

> <STAR>
3

> <SYNONYM>
3-hexenol; 3-hexen-1-ol

> <IUPAC_NAME>
hex-3-en-1-ol

> <FORMULA>
C6H12O

> <MASS>
100.161

> <MONOISOTOPIC_MASS>
100.08882

> <CHARGE>
0

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

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

> <INCHIKEY>
UFLHIIWVXFIJGU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
544-12-7

> <CHEMIDPLUS>
544-12-7

> <NIST_CHEMISTRY_WEBBOOK>
544-12-7

> <AGRICOLA_CITATION>
IND606260054

> <PUBMED_CITATION>
25809070; 30042579

$$$$