Marvin  05201115092D          

  6  5  0  0  0  0            999 V2000
    0.0368   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777    1.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0368   -0.9723    0.0000 O   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
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
> <ID>
CHEBI:62064

> <NAME>
butane-2,3-diol

> <DEFINITION>
A butanediol in which hydroxylation is at C-2 and C-3.

> <STAR>
3

> <SYNONYM>
Sym-dimethylethylene glycol; Pseudobutylene glycol; Dimethylethylene glycol; Dimethylene glycol; 2,3-Dihydroxybutane; 2,3-Butylene glycol; 2,3-Butanediol

> <IUPAC_NAME>
butane-2,3-diol

> <FORMULA>
C4H10O2

> <MASS>
90.12100

> <MONOISOTOPIC_MASS>
90.06808

> <CHARGE>
0

> <SMILES>
CC(O)C(C)O

> <INCHI>
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

> <INCHIKEY>
OWBTYPJTUOEWEK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
513-85-9

> <CHEMIDPLUS>
513-85-9

> <WIKIPEDIA_ACCESSION>
2,3-Butanediol

$$$$