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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
19848
Molecular Scaffold
daT@@DjYTHfkjjjh`dIHRABAfX
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@H]2[C@]([CH]CC3)[C@@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11/c1-2-5-6(3-1)8-4-7(5)8/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
XKYHIGAJLBVVEM-LXGUWJNJSA-N