Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10
Datos Químicos de C8H10
ID
19702
Molecular Scaffold
dnd@@Di[pljfZjjIIbJT`@
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@H]1[C@H]2[C@@H]3C=C[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10/c1-4-7-5-2-3-6(7)8(4)5/h2-8H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KIDVUSDITJEGDR-UHFFFAOYSA-N