Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O2
Datos Químicos de C6H12O2
ID
5980
Molecular Formula
C6H12O2
Elemental Composition %
C: 30%
H: 60%
O: 10%
N: 0%
Weight
116.159
Programa de Cálculo
G16
SMILES
CCOC(C)(C)C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O2/c1-4-8-6(2,3)5-7/h5H,4H2,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HHIYJPQUMUPZIZ-UHFFFAOYSA-N