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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37658
Molecular Scaffold
dil@@DjYdjHZynXZjjjhPTIHTiLnPp@
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@@H]3[C@@H]4[C@H]1[C@@H]1[C@H]2[C@@H]1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-4-6-3(1)7-5(2)9(7)8(4)6/h2-9H,1H2/t2-,3+,4-,5+,6+,7-,8-,9+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WEDSMIBYBDZOFA-UUPJPTEYSA-N