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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
40327
Molecular Scaffold
dil@@DjezDrlZfxZjjji`dIIbjL`@
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)C1[C@]12[C@@H]3[C@H]1[C@@H]1[C@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-3(1)9-6-4-5(6)8(9)7(4)9/h3-8H,1-2H2/t4-,5+,6-,7-,8+,9+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QRKCDGUXAIKSTM-IZAYZTIRSA-N