Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H5NO
Datos Químicos de C4H5NO
ID
699
Molecular Scaffold
dfFH@JAJ[SDHjjjhhbKHR@
Molecular Formula
C4H5NO
Elemental Composition %
C: 36.3636363636364%
H: 45.4545454545455%
O: 9.09090909090909%
N: 9.09090909090909%
Weight
83.0897
Programa de Cálculo
G16
SMILES
N1[C@H]2[C@@H]3O[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DRNBVAUVECFBTC-UHFFFAOYSA-N