Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O3
Datos Químicos de C5H6O3
ID
16365
Molecular Scaffold
dnDD@@IIflhfZjjDP@
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](CC1=O)[C@@]11OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O3/c6-3-1-4(7)5(3)2-8-5/h3,6H,1-2H2/t3-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HGIGUBHKRGBFQJ-NQXXGFSBSA-N