Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H10
Datos Químicos de C9H10
ID
73997
Molecular Scaffold
dat@@DjY|JfkfzjjjfBQBeIirABAbX
Molecular Formula
C9H10
Elemental Composition %
C: 47.3684210526316%
H: 52.6315789473684%
O: 0%
N: 0%
Weight
118.178
Programa de Cálculo
G16
SMILES
C[C@@]1[C@@](C2)[C@H]3[C@@H]2[C@H]2[C@@H]1[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H12/c1-3-4-2-5-7(4)9-6(3)8(5)9/h3-9H,2H2,1H3/t3-,4+,5+,6+,7+,8-,9-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OEIYELBNUSEMTN-HNCIISEESA-N