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January 28, 2026
C5H10O3
Datos Químicos de C5H10O3
ID
5835
Molecular Formula
C5H10O3
Elemental Composition %
C: 27.7777777777778%
H: 55.5555555555556%
O: 16.6666666666667%
N: 0%
Weight
118.131
Programa de Cálculo
G16
SMILES
CC(C)([C@H](C=O)O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h3-4,7-8H,1-2H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YDXYYBJRCIQQSF-BYPYZUCNSA-N