Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12
Datos Químicos de C8H12
ID
14460
Molecular Scaffold
dnd@@DjUJbZfjjjRhr@
Molecular Formula
C8H12
Elemental Composition %
C: 40%
H: 60%
O: 0%
N: 0%
Weight
108.183
Programa de Cálculo
G16
SMILES
C[C@]12[C@@H](C3)[C@H]1C[C@@H]3C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12/c1-8-4-5-2-6(8)7(8)3-5/h5-7H,2-4H2,1H3/t5-,6-,7+,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QSUFBNDGMXCLRN-ODANAHCNSA-N