Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H8O3
Datos Químicos de C4H8O3
ID
2546
Molecular Formula
C4H8O3
Elemental Composition %
C: 26.6666666666667%
H: 53.3333333333333%
O: 20%
N: 0%
Weight
104.105
Programa de Cálculo
G16
SMILES
CO[C@@H](CO)C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8O3/c1-7-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LFHDVXRLUAMVMT-SCSAIBSYSA-N