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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
20239
Molecular Scaffold
dat@@DjYTpjKjZjjjfAPdfHiR@
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]([C@H]2C3)[C@@H]2[C@H]2[C@@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-3-5-2-6-4(1)8(6)7(3)5/h3-8H,1-2H2/t3-,4-,5+,6+,7-,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WPZRDFCTXNEVRC-QEEWUKHFSA-N