Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12
Datos Químicos de C8H12
ID
8196
Molecular Scaffold
gGp@Di[Dujj@@
Molecular Formula
C8H12
Elemental Composition %
C: 40%
H: 60%
O: 0%
N: 0%
Weight
108.183
Programa de Cálculo
G16
SMILES
C[C@@]1(C2)[C@@]2(C)C=CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12/c1-7-4-3-5-8(7,2)6-7/h3-4H,5-6H2,1-2H3/t7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AEMOLYVUCJXQID-JGVFFNPUSA-N