CC#N.C(=O)=O
Name: acetonitrile;carbon dioxide
SMILES: CC#N.C(=O)=O

Molecular Processing

Molecular formula
C3H3NO2
Molecular weight
85.06
Exact mass
85.0164
XLogP
-0.05
TPSA
57.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
6
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
0.333
Molar refractivity
16.29

Supplementary Information

InChIKey: PWQLZSHJRGGLBC-UHFFFAOYSA-N
Synonyme
acetonitrile CO2dry ice MeCNACN dry iceacetonitrile dry iceacetonitrile dry-iceCH3CN dry icedry ice acetonitriledry ice CH3CNdry-ice acetonitriledry-ice CH3CNMeCN CO2ACN CO2CH3CN CO2SCHEMBL7156432PWQLZSHJRGGLBC-UHFFFAOYSA-N
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