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January 28, 2026
C6H10O
Datos Químicos de C6H10O
ID
1798
Molecular Scaffold
eO@Hyj@
Molecular Formula
C6H10O
Elemental Composition %
C: 35.2941176470588%
H: 58.8235294117647%
O: 5.88235294117647%
N: 0%
Weight
98.1444
Programa de Cálculo
G16
SMILES
CC1(CC1)C(C)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OQBCJXUAQQMTRW-UHFFFAOYSA-N