Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
44294
Molecular Scaffold
diLH@@RYeRZnX^EjjjidaRhryB`@
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=C(C1)[C@H]2[C@H]3[C@@H]1[C@H]1[C@@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H8O/c9-3-1-2-4-6(3)8-5(2)7(4)8/h2,4-8H,1H2/t2-,4+,5-,6+,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BOZPJZAZWIFKEM-KXGOCQLYSA-N