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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
66559
Molecular Scaffold
dnT@@DjYRlKFIjjjh`RKHt@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
C[C@]1([C@@H]2[C@H]3[C@H](C4)[C@H]12)[C@@]34O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-7-4-3-2-8(7,9)5(3)6(4)7/h3-6,9H,2H2,1H3/t3-,4+,5+,6+,7+,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IXTMPVXIJYYUAU-NHTNQACOSA-N