CC(=O)O.O
CAS: 19215-29-3
Name: acetic acid;hydrate
SMILES: CC(=O)O.O

Molecular Processing

Molecular formula
C2H6O3
Molecular weight
78.07
Exact mass
78.0317
XLogP
-0.73
TPSA
68.8
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
16.92

Supplementary Information

InChIKey: PQLVXDKIJBQVDF-UHFFFAOYSA-N
Synonyme
Acetic acid--water (1/1)19215-29-3DTXSID10619723RefChem:316765DTXCID20570477acetate monohydrateAcOH waterHOAc waterwater AcOHacetic acid wateracetic acid-wateracetic-acid waterwater acetic acidwater-acetic acidacetic acid H2OAcOH H2OAcOH-H2OH2O AcOHH2O HOAcHOAc H2OHOAc-H2OCH3CO2H H2OSCHEMBL52435SCHEMBL6339416SCHEMBL15538230SCHEMBL27559662PQLVXDKIJBQVDF-UHFFFAOYSA-N
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