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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38506
Molecular Scaffold
ditH@@ReUlInxZjjZRer@
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@H]1C2)[C@@H]1C1=C2COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-5-2-7(5)8-4-9-3-6(1)8/h5,7H,1-4H2/t5-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FKSTTYSHNHXAPE-VDTYLAMSSA-N