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January 28, 2026
C4H7N3O2
Datos Químicos de C4H7N3O2
ID
93479
Molecular Scaffold
daGH@D[`RYVkfjZ@@
Molecular Formula
C4H7N3O2
Elemental Composition %
C: 25%
H: 43.75%
O: 12.5%
N: 18.75%
Weight
129.119
Programa de Cálculo
G16
SMILES
N=C(NC[C@@H]1O)NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O2/c5-4-6-1-2(8)3(9)7-4/h2,8H,1H2,(H3,5,6,7,9)/t2-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AOHYVUQWMYEGIG-REOHCLBHSA-N