Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H12
Datos Químicos de C9H12
ID
74016
Molecular Scaffold
daT@@DjY|hf[jjjh`dHdtABAbX
Molecular Formula
C9H12
Elemental Composition %
C: 42.8571428571429%
H: 57.1428571428571%
O: 0%
N: 0%
Weight
120.194
Programa de Cálculo
G16
SMILES
C[C@@]1[C@@](CC2)[C@@H]2[C@@H]2[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-5-6-2-3-7(6)9-4-8(5)9/h5-9H,2-4H2,1H3/t5-,6+,7-,8-,9+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DLSVKYIGKOARAD-QKAWAISNSA-N