Marvin  05160610302D          

  5  4  0  0  0  0            999 V2000
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  5  4  1  4  0  0  0
M  END
> <ID>
CHEBI:23120

> <NAME>
3-chloroprop-2-en-1-ol

> <STAR>
3

> <SYNONYM>
3-chloroallyl alcohol; 3-chloro-2-propen-1-ol

> <IUPAC_NAME>
3-chloroprop-2-en-1-ol

> <FORMULA>
C3H5ClO

> <MASS>
92.52390

> <MONOISOTOPIC_MASS>
92.00289

> <CHARGE>
0

> <SMILES>
OCC=CCl

> <INCHI>
InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2

> <INCHIKEY>
HJGHXDNIPAWLLE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1734872

> <CAS_REGISTRY_NUMBER>
29560-84-7

> <CHEMIDPLUS>
29560-84-7

$$$$