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C5H8O3

Datos Químicos de C5H8O3

ID

10270

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@H](C(C=O)C=O)O

Nivel de Teoría

B3LYP/6-31G(2df, p)

InChI

InChI=1S/C5H8O3/c1-4(8)5(2-6)3-7/h2-5,8H,1H3/t4-/m1/s1

Calculation Keys

# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx

InChIKey

YNQMXKBPSZLKMX-SCSAIBSYSA-N

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