Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H8
Datos Químicos de C9H8
ID
37000
Molecular Scaffold
dil@@DjY]BIjyaxZjjjhPdIHRjMNPhG|HFY`
Molecular Formula
C9H8
Elemental Composition %
C: 52.9411764705882%
H: 47.0588235294118%
O: 0%
N: 0%
Weight
116.163
Programa de Cálculo
G16
SMILES
[CH]1[C@@]2[C@@H]3[C@@H]4[C@H]2[C@@H]4[C@H]2[C@@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H9/c1-2-4-5(2)8-7-3(1)6(4)9(7)8/h1-9H/t2-,3+,4-,5-,6+,7+,8+,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HCRASOLXIBYFJK-FWTQGQHPSA-N