Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O3
Datos Químicos de C5H6O3
ID
18154
Molecular Scaffold
gJq@@eLmcUTiM@@
Molecular Formula
C5H6O3
Elemental Composition %
C: 35.7142857142857%
H: 42.8571428571429%
O: 21.4285714285714%
N: 0%
Weight
114.1
Programa de Cálculo
G16
SMILES
O[C@H]([C@H]12)[C@H]2O[C@H]1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O3/c6-1-2-3-4(7)5(3)8-2/h1-5,7H/t2-,3+,4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NKUXTWSTXBNWOG-QTBDOELSSA-N