Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O3
Datos Químicos de C5H6O3
ID
19870
Molecular Scaffold
daTL@@kdiehf[jjjhhVHdt@
Molecular Formula
C5H6O3
Elemental Composition %
C: 35.7142857142857%
H: 42.8571428571429%
O: 21.4285714285714%
N: 0%
Weight
114.1
Programa de Cálculo
G16
SMILES
C1O[C@@H]([C@H]2O[C@@H]22)[C@@H]2O1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O3/c1-6-2-3(7-1)5-4(2)8-5/h2-5H,1H2/t2-,3-,4+,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LSADTSIZQYCITR-MBMOQRBOSA-N