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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37909
Molecular Scaffold
dit@@DiUffX^EjjjbIUFPpG|HfE`
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@]([CH]C=CC2)[C@@H]3[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H11/c1-2-4-7-8-5-6(3-1)9(7)8/h1-3,6-9H,4-5H2/t6-,7-,8-,9+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VMLOUXTWVVGBTE-XSPKLOCKSA-N