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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
14358
Molecular Scaffold
daT@@Di[lJfkfjjkDQRd@
Molecular Formula
C8H10
Elemental Composition %
C: 44.4444444444444%
H: 55.5555555555556%
O: 0%
N: 0%
Weight
106.167
Programa de Cálculo
G16
SMILES
C([C@H]1C2)[C@@]22[C@H]1C=CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-2-7-6-4-8(7,3-1)5-6/h1-2,6-7H,3-5H2/t6?,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GBKZOVMZCYQMMV-WTIBDHCWSA-N