CC(C(C)O)O
CAS: 513-85-9
Name: butane-2,3-diol
SMILES: CC(C(C)O)O

Molecular Processing

Molecular formula
C4H10O2
Molecular weight
90.12
Exact mass
90.0681
XLogP
-0.25
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
23.36

Supplementary Information

InChIKey: OWBTYPJTUOEWEK-UHFFFAOYSA-N
Synonyme
2,3-butanediol513-85-9Butane-2,3-diol2,3-butylene glycol2,3-DihydroxybutaneDimethylethylene glycolPseudobutylene glycolSym-dimethylethylene glycolDTXSID8041321DTXCID6021321CHEBI:6206445427ZB5IJRefChem:441921208-173-6Dimethylene glycolDL-2,3-Butanediol123513-85-9NISTC6982258Omega-butylene glycol2,3-Butanediol, (R*,R*)-(.+/-.)-2,3-butanodiolMFCD0000452335007-63-7Butan-2,3-diolCCRIS 5501HSDB 1505EINECS 208-173-6BRN 09691652,3-Butanediol; >98%UNII-45427ZB5IJ
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