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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
90331
Molecular Scaffold
daT@@DjYRhfkjjjh`TPeTABAbX
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@@H](C1)[C@H]2[C@H]3[C@]1[CH]C[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11O/c9-6-3-4-1-2-5-7(4)8(5)6/h1,4-9H,2-3H2/t4-,5-,6-,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OTJBRUNEORTQID-WXUMCUSRSA-N