Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O2
Datos Químicos de C5H8O2
ID
1644
Molecular Formula
C5H8O2
Elemental Composition %
C: 33.3333333333333%
H: 53.3333333333333%
O: 13.3333333333333%
N: 0%
Weight
100.117
Programa de Cálculo
G16
SMILES
CCC(C(C)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TZMFJUDUGYTVRY-UHFFFAOYSA-N