Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12O
Datos Químicos de C8H12O
ID
110533
Molecular Scaffold
dfD@@DjYBrbjjjlAEJP@
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@@]1([C@@H]2[C@H]1C1)[C@@H]1[C@H]2OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12O/c1-8-4-3-5(8)7(9-2)6(4)8/h4-7H,3H2,1-2H3/t4-,5+,6+,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HEPNPDNMWZAAOI-HNEXDWKRSA-N