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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
41367
Molecular Scaffold
ditH@@RfnTrnXZjjiRId@
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(C1)[C@]23C=CC[C@@]12OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-2-7-4-5-8(7,3-1)9-6-7/h1-2H,3-6H2/t7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BXNXKBODYVQBQM-YUMQZZPRSA-N