Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H3NO2
Datos Químicos de C3H3NO2
ID
186
Molecular Scaffold
gFx`BLeLzuK@@
Molecular Formula
C3H3NO2
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 22.2222222222222%
N: 11.1111111111111%
Weight
85.0618
Programa de Cálculo
G16
SMILES
N=C1OC=CO1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3NO2/c4-3-5-1-2-6-3/h1-2,4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IPDZUFMRRGZODR-UHFFFAOYSA-N