Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12
Datos Químicos de C8H12
ID
12830
Molecular Scaffold
dnD@@DjYrbZjjhB@a@qL@
Molecular Formula
C8H12
Elemental Composition %
C: 40%
H: 60%
O: 0%
N: 0%
Weight
108.183
Programa de Cálculo
G16
SMILES
C[C@@]1(CC2)[C@]2[CH]CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H13/c1-8-5-2-3-7(8)4-6-8/h3,7H,2,4-6H2,1H3/t7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LCIUYYIPMSQXAQ-JGVFFNPUSA-N