Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
67193
Molecular Scaffold
daTL@@RdfVRZn[fjjkLaSd@
Molecular Formula
C5H4O4
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 30.7692307692308%
N: 0%
Weight
128.083
Programa de Cálculo
G16
SMILES
O[C@@]12[C@@H]3O[C@H]2[C@H]1OC3=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-4-3-5(7)1(8-3)2(5)9-4/h1-3,7H/t1-,2-,3+,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JXRZHKKKDCXZSV-HKGWAPIESA-N