Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O4
Datos Químicos de C5H6O4
ID
44972
Molecular Scaffold
diTB@@RaRYYrkaZjjdrD`@
Molecular Formula
C5H6O4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 26.6666666666667%
N: 0%
Weight
130.099
Programa de Cálculo
G16
SMILES
O=C1O[C@@H]2O[C@H]1COC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O4/c6-5-3-1-7-2-4(8-3)9-5/h3-4H,1-2H2/t3-,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OEZGNGQITWNCSJ-IUYQGCFVSA-N