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January 28, 2026
C4H8O3
Datos Químicos de C4H8O3
ID
1183
Molecular Formula
C4H8O3
Elemental Composition %
C: 26.6666666666667%
H: 53.3333333333333%
O: 20%
N: 0%
Weight
104.105
Programa de Cálculo
G16
SMILES
C[C@@](CO)(C=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8O3/c1-4(7,2-5)3-6/h2,6-7H,3H2,1H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JBCPUXACCOWZEB-BYPYZUCNSA-N