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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
38005
Molecular Scaffold
diL@@DjYJIj{ajjjjXEDJTfWHG|HFI`
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]([C@H]2C3)[C@H]4[C@@H]2[C@]3[CH][C@@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H11/c1-4-2-6-7-3-5(1)9(7)8(4)6/h1,4-9H,2-3H2/t4-,5-,6-,7+,8-,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UKHCTXXXZGDHOM-VMQOHUEUSA-N