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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
41125
Molecular Scaffold
diL@@DiZ{BrjyaZjjjIEdIU@@
Molecular Formula
C9H10
Elemental Composition %
C: 47.3684210526316%
H: 52.6315789473684%
O: 0%
N: 0%
Weight
118.178
Programa de Cálculo
G16
SMILES
C(C1)[C@]23[C@@]11C=C[C@@H]2[C@H]1C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-8-3-4-9(8)5-7(8)6(1)9/h1-2,6-7H,3-5H2/t6-,7-,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RGLQRRZUSFPPEL-BGZDPUMWSA-N