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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
67794
Molecular Scaffold
daT@@DiYjf[fjfkDeIh@
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@@]12C=C[C@H]3C=C[C@@H]1[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-9-5-4-6-2-3-7(9)8(6)9/h2-8H,1H3/t6-,7-,8-,9+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JBVCYDCDMVOVHU-XSPKLOCKSA-N