CC(=O)O.Cl
Nom: acetic acid;hydrochloride
SMILES: CC(=O)O.Cl

Molecular Processing

Molecular formula
C2H5ClO2
Molecular weight
96.51
Exact mass
95.9978
XLogP
0.51
TPSA
37.3
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
20.56

Supplementary Information

InChIKey: WJGAPUXHSQQWQF-UHFFFAOYSA-N
Synonymes
HCl acetic acidAcOH HClAcOH-HClHCl AcOHHCl HOAcHOAc HClHCl CH3COOHacetate-hydrochloric acidacetic acid hydrochlorideacetic acid;hydrochlorideC2H5ClO2acetic acid hydrochloric acidhydrochloric acid acetic acidhydrochloric acid-acetic acidhydrogen chloride acetic acidSCHEMBL87787SCHEMBL27479223WJGAPUXHSQQWQF-UHFFFAOYSA-NF094031
Voir la source →
Impliqué dans 78 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→