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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
20178
Molecular Scaffold
daT@@DjY|hj[jjjh`dHiTABAbX
Molecular Formula
C8H10
Elemental Composition %
C: 44.4444444444444%
H: 55.5555555555556%
O: 0%
N: 0%
Weight
106.167
Programa de Cálculo
G16
SMILES
C1[C@@]([CH]CC2)[C@@H]3[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11/c1-2-5-4-7-6(3-1)8(5)7/h2,5-8H,1,3-4H2/t5-,6-,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GWBWKGIGWKOLHK-DKXJUACHSA-N