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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
66871
Molecular Scaffold
dat@@DjY|JfkfzjjjjBQBeIhC~DCDp
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@@]12[C@H](C3)[C@@H]4[C@]3[CH][C@H]2[C@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H11/c1-9-5-2-4-3-6(9)8(9)7(4)5/h3-8H,2H2,1H3/t4-,5-,6-,7-,8+,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YNXDBHWGUVVBKT-JTMCIWCCSA-N