Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O4
Datos Químicos de C5H6O4
ID
105607
Molecular Scaffold
gKP`@dfVj@@
Molecular Formula
C5H6O4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 26.6666666666667%
N: 0%
Weight
130.099
Programa de Cálculo
G16
SMILES
CO[C@](CO1)(C=O)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O4/c1-8-5(2-6)3-9-4(5)7/h2H,3H2,1H3/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DRCSSKBLHHEHPC-YFKPBYRVSA-N