Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
9624
Molecular Scaffold
eOHBNZ`@
Molecular Formula
C5H8O3
Elemental Composition %
C: 31.25%
H: 50%
O: 18.75%
N: 0%
Weight
116.116
Programa de Cálculo
G16
SMILES
C[C@@]1(CO)O[C@H]1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c1-5(3-7)4(2-6)8-5/h2,4,7H,3H2,1H3/t4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DNQIATHBSKHPLN-WHFBIAKZSA-N