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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
106214
Molecular Scaffold
dnd@@Di[pljfZjjsHRj@@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
OC[C@@]12C=C[C@H]3[C@@H]1C[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c9-4-8-2-1-5-6(8)3-7(5)8/h1-2,5-7,9H,3-4H2/t5-,6-,7+,8-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LRLULVQVIVMXJE-KUZPWIFLSA-N