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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38920
Molecular Scaffold
ditH@@RfUxPjxZjZjrDbI@@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
C1[C@H](CCC=C2)[C@]22O[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-2-4-8-6(3-1)5-7(8)9-8/h2,4,6-7H,1,3,5H2/t6-,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AJXUYLMZKGJITA-BWZBUEFSSA-N