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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37016
Molecular Scaffold
dit@@DiZwJinEjijdRU@@
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=CC[C@]13CC=C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-3-8-5-2-6-9(8,4-1)7-8/h1-3,5H,4,6-7H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RUZIUQIXGVIQCK-UHFFFAOYSA-N