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January 28, 2026
C4H10O2
Datos Químicos de C4H10O2
ID
396
Molecular Formula
C4H10O2
Elemental Composition %
C: 25%
H: 62.5%
O: 12.5%
N: 0%
Weight
90.1214
Programa de Cálculo
G16
SMILES
C[C@@H](CO)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YTTFFPATQICAQN-BYPYZUCNSA-N