Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
38004
Molecular Scaffold
diLH@@RfUTpfX^FjjjjhbHhrE@aJp@
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@]3[C@@H]2C2[C@@H]1O[C@H]2[CH]3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H9O/c1-3-2-5-7-6(3)4(1)8(7)9-5/h2-8H,1H2/t3-,4+,5-,6+,7?,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CTTJRQNBDCARNF-WGCBLYKYSA-N