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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
71035
Molecular Scaffold
dat@@DjftiFIjzjjjbAPdeP@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
O[C@@]1(C2)[C@@H]3[C@]22[C@H]1[C@H]3CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c9-8-3-7-2-1-4(5(7)8)6(7)8/h4-6,9H,1-3H2/t4-,5+,6-,7+,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LHSDXTNCLYMNFZ-HDHNGLDHSA-N