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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37583
Molecular Scaffold
diL@@DiYWBifGaZjjjYEdIUFPp@
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]3C=C[C@@H]2[C@@H]2[C@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-5-6-3-7-8(4(1)6)9(5)7/h1-2,4-9H,3H2/t4-,5-,6-,7-,8+,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KRBYEYMCXYSAIT-JTMCIWCCSA-N