Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO3
Datos Químicos de C5H7NO3
ID
85586
Molecular Scaffold
daFL@NAJRYWifjf@@
Molecular Formula
C5H7NO3
Elemental Composition %
C: 31.25%
H: 43.75%
O: 18.75%
N: 6.25%
Weight
129.115
Programa de Cálculo
G16
SMILES
C[C@H](C(OC1)=N)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO3/c1-3-5(6)8-2-4(7)9-3/h3,6H,2H2,1H3/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ADBWFZRBPMHFAY-GSVOUGTGSA-N