Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O3
Datos Químicos de C6H12O3
ID
103621
Molecular Scaffold
gBP@DiVj`@
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@@](CO)(C[C@H]1O)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O3/c1-6(3-7)2-4(8)5(6)9/h4-5,7-9H,2-3H2,1H3/t4-,5+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VSQQCSAPRPWQHV-JKUQZMGJSA-N