Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O2
Datos Químicos de C5H8O2
ID
1860
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C5H8O2
Elemental Composition %
C: 33.3333333333333%
H: 53.3333333333333%
O: 13.3333333333333%
N: 0%
Weight
100.117
Programa de Cálculo
G16
SMILES
O[C@H](C1)C=C[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2/t4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IGRLIBJHDBWKNA-RFZPGFLSSA-N