Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
133875
Molecular Scaffold
dilH@@RfmTqB[fGajjjjnaILQQetE@@
Molecular Formula
C8H8O
Elemental Composition %
C: 47.0588235294118%
H: 47.0588235294118%
O: 5.88235294117647%
N: 0%
Weight
120.151
Programa de Cálculo
G16
SMILES
C([C@H]12)[C@@]34O[C@H]5[C@@H]3[C@@H]1[C@@H]2[C@@H]45
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H8O/c1-2-3-4(2)6-7-5(3)8(1,6)9-7/h2-7H,1H2/t2-,3+,4-,5-,6+,7+,8-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OZKBVYUZDYDCKT-UTFZKMCLSA-N