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January 28, 2026
C5H10O3
Datos Químicos de C5H10O3
ID
6722
Molecular Formula
C5H10O3
Elemental Composition %
C: 27.7777777777778%
H: 55.5555555555556%
O: 16.6666666666667%
N: 0%
Weight
118.131
Programa de Cálculo
G16
SMILES
C[C@H](COCC=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10O3/c1-5(7)4-8-3-2-6/h2,5,7H,3-4H2,1H3/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XMMHFUKLRRNIRZ-RXMQYKEDSA-N