Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O3
Datos Químicos de C6H12O3
ID
101481
Molecular Scaffold
gKP`AdiZj@@
Molecular Formula
C6H12O3
Elemental Composition %
C: 28.5714285714286%
H: 57.1428571428571%
O: 14.2857142857143%
N: 0%
Weight
132.158
Programa de Cálculo
G16
SMILES
CC[C@H]([C@@H]1OCOC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O3/c1-2-5(7)6-3-8-4-9-6/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
URPKVDVXMWARFW-PHDIDXHHSA-N