Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O3
Datos Químicos de C6H10O3
ID
115863
Molecular Scaffold
gGq@@eJxfuURtJ@
Molecular Formula
C6H10O3
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 15.7894736842105%
N: 0%
Weight
130.142
Programa de Cálculo
G16
SMILES
OC[C@H]([C@H]12)OC[C@H]2[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O3/c7-1-4-5-3(2-9-4)6(5)8/h3-8H,1-2H2/t3-,4-,5+,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XMOMARWBRQQLJM-ZXXMMSQZSA-N