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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
84218
Molecular Scaffold
dnd@@DjYrbhfjjjpEDI@a@qL@
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@](C1)([C@H]2[C@]1[CH]1)[C@@H]2[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11O/c1-8-3-4-2-5(9)7(8)6(4)8/h2,4-7,9H,3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CVIRUYFKCSNKBD-CBQIKETKSA-N