Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O3
Datos Químicos de C6H12O3
ID
101890
Molecular Formula
C6H12O3
Elemental Composition %
C: 28.5714285714286%
H: 57.1428571428571%
O: 14.2857142857143%
N: 0%
Weight
132.158
Programa de Cálculo
G16
SMILES
C[C@@H](CO)COCC=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O3/c1-6(4-8)5-9-3-2-7/h2,6,8H,3-5H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JQEINDDHZKYJJC-LURJTMIESA-N