Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12O
Datos Químicos de C8H12O
ID
71009
Molecular Scaffold
daTH@@RfmSJynjjjhr@@
Molecular Formula
C8H12O
Elemental Composition %
C: 38.0952380952381%
H: 57.1428571428571%
O: 4.76190476190476%
N: 0%
Weight
124.182
Programa de Cálculo
G16
SMILES
C[C@](C1)(C2)C[C@H]3[C@@]12OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12O/c1-7-2-6-3-9-8(6,4-7)5-7/h6H,2-5H2,1H3/t6-,7?,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NVDKUASKADNTGJ-KKMMWDRVSA-N