Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H12
Datos Químicos de C9H12
ID
38487
Molecular Scaffold
diL@@DjfZBqj{ajjjjHIBQ`@
Molecular Formula
C9H12
Elemental Composition %
C: 42.8571428571429%
H: 57.1428571428571%
O: 0%
N: 0%
Weight
120.194
Programa de Cálculo
G16
SMILES
C1[C@@H]2[C@@](C3)(CC4)[C@]34C[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H12/c1-2-9-5-8(1,9)4-6-3-7(6)9/h6-7H,1-5H2/t6-,7-,8-,9-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ORQOGUUCZWUETH-JBDRJPRFSA-N