CC#N.CC(=O)O
Name: acetic acid;acetonitrile
SMILES: CC#N.CC(=O)O

Molecular Processing

Molecular formula
C4H7NO2
Molecular weight
101.1
Exact mass
101.0477
XLogP
0.62
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
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
24.6

Supplementary Information

InChIKey: RQBBFKINEJYDOB-UHFFFAOYSA-N
Synonyme
MeCN AcOHMeCN HOAcacetonitrile aceticacidAcOH CH3CNCH3CN HOAcHOAc CH3CNacetic acid acetonitrileacetic acid-acetonitrileacetonitrile acetic acidSCHEMBL590853RQBBFKINEJYDOB-UHFFFAOYSA-N
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