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January 28, 2026
C8H10
Datos Químicos de C8H10
ID
12501
Molecular Scaffold
gOp@DiUkZV`@
Molecular Formula
C8H10
Elemental Composition %
C: 44.4444444444444%
H: 55.5555555555556%
O: 0%
N: 0%
Weight
106.167
Programa de Cálculo
G16
SMILES
CC1=CC=CC=CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-8-6-4-2-3-5-7-8/h2-6H,7H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QMRIOEQPJDFOPT-UHFFFAOYSA-N