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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
50217
Molecular Scaffold
dnd@@Dj[PdhfjjjHIDQD`@
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[C@@H](C1)[C@@H]2[C@@H]3[C@H]1[C@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c9-3-4-1-5-6-2-7(5)8(4)6/h3-8H,1-2H2/t4-,5-,6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FULKJDIAWHMWFE-PVFLNQBWSA-N