Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
6114
Molecular Scaffold
gKP`@dfVj@@
Molecular Formula
C5H8O3
Elemental Composition %
C: 31.25%
H: 50%
O: 18.75%
N: 0%
Weight
116.116
Programa de Cálculo
G16
SMILES
CC(C)([C@@H]1O)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c1-5(2)3(6)4(7)8-5/h3,6H,1-2H3/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QRYPSZGKZNPFLO-VKHMYHEASA-N