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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
19619
Molecular Scaffold
dat@@DjfTkBkfzjjjbbHjgH@
Molecular Formula
C8H10
Elemental Composition %
C: 44.4444444444444%
H: 55.5555555555556%
O: 0%
N: 0%
Weight
106.167
Programa de Cálculo
G16
SMILES
C(C1)C11[C@H]2[C@H]3[C@@H]1[C@H]3C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-2-8(1)5-3-4-6(5)7(4)8/h4-7H,1-3H2/t4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QUKPXSMAXRBDRV-BNHYGAARSA-N