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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37532
Molecular Scaffold
diL@@DiZwBkfyaZjjjiHTiMN`@
Molecular Formula
C9H10
Elemental Composition %
C: 47.3684210526316%
H: 52.6315789473684%
O: 0%
N: 0%
Weight
118.178
Programa de Cálculo
G16
SMILES
C1[C@@H]2[C@@]34C=CC[C@H]3[C@@H]2[C@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-5-8-6-4-7(8)9(5,6)3-1/h1,3,5-8H,2,4H2/t5-,6-,7-,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VCJYGPOTEHSAAV-OKNNCHMLSA-N