Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O2
Datos Químicos de C6H12O2
ID
10781
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C6H12O2
Elemental Composition %
C: 30%
H: 60%
O: 10%
N: 0%
Weight
116.159
Programa de Cálculo
G16
SMILES
C[C@H]([C@H](C)[C@@H]1O)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O2/c1-3-4(2)6(8)5(3)7/h3-8H,1-2H3/t3-,4+,5+,6-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MNKDVAOSGUUSPG-GUCUJZIJSA-N