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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
71019
Molecular Scaffold
dat@@DiZ|KJkfyjjjbQYBUP@
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(C2)[C@H]3[C@]22C=C[C@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-8-4-9-3-2-5(6(8)9)7(8)9/h2-3,5-7H,4H2,1H3/t5-,6-,7-,8+,9-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FXWQXRDIJCLTTH-XRBOHMRVSA-N