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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
79003
Molecular Scaffold
dat@@DiZ|KJkfyjjjjQYBUSd@
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@@H]1[C@@]23C=C[C@H]4[C@@H]2[C@@H]1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-4-6-7-5-2-3-9(4,7)8(5)6/h2-8H,1H3/t4-,5-,6+,7+,8+,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QGHZRXHCRWNVOJ-PZJMJUOOSA-N