Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
42711
Molecular Scaffold
ditH@@RYi|hnXVjjfqEbi@@
Molecular Formula
C8H8O
Elemental Composition %
C: 47.0588235294118%
H: 47.0588235294118%
O: 5.88235294117647%
N: 0%
Weight
120.151
Programa de Cálculo
G16
SMILES
O=C1[C@]23C=C[C@H]1[C@@H]2CC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H8O/c9-7-5-1-3-8(7)4-2-6(5)8/h1,3,5-6H,2,4H2/t5-,6-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DPKHNLUWVDGIGX-JKMUOGBPSA-N