Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H5NO
Datos Químicos de C3H5NO
ID
125
Molecular Formula
C3H5NO
Elemental Composition %
C: 30%
H: 50%
O: 10%
N: 10%
Weight
71.0787
Programa de Cálculo
G16
SMILES
COCC#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N