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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
133869
Molecular Scaffold
diLH@@RffXnHZFjjjjhRSDTE@@
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@@]23O[C@@H]4C[C@H]2[C@H]1[C@H]3C4
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-4-2-7-5-3-8(7,9-4)6(1)5/h4-7H,1-3H2/t4-,5+,6-,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LPNIJQZZJAITJM-GWVFRZDISA-N