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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
38558
Molecular Scaffold
diL@@DiZwBrf{aZjjjiEdIUN`@
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@@]23C=C[C@H]4[C@@H]2[C@@H]1C[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-9-4-5-3-7(9)6(1)8(5)9/h1-2,5-8H,3-4H2/t5-,6-,7+,8-,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FUHZCPHTUAQRMD-SYHAXYEDSA-N