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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
70919
Molecular Scaffold
daT@@DiZ|Jn[fjjjB`@
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@](C1)(C2)[C@H]3[C@@]12C=CC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c9-8-4-7(5-8)3-1-2-6(7)8/h1,3,6,9H,2,4-5H2/t6-,7?,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UPTPPADGNBSWIC-JECWYVHBSA-N