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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
11047
Molecular Scaffold
dnD@@DiYrbYjjP@
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@]1(C2)C=C[C@@H]2C=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-8-4-2-7(6-8)3-5-8/h2-5,7H,6H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YLGJWZZQXZWMQQ-UHFFFAOYSA-N