Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
115178
Molecular Scaffold
gFp`@TfTujh@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
CO[C@H]([C@@H]1O)OCC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c1-8-5-4(7)3(6)2-9-5/h4-5,7H,2H2,1H3/t4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ANHHLEIFXZKOPD-RFZPGFLSSA-N