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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38568
Molecular Scaffold
diLH@@rQQQGJKj[ajjjjZDdqUFgP@
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]2O[C@H]3[C@H]4[C@@H]2[C@@H]1C[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-3-2-5-6(3)7-4(1)8(7)9-5/h3-8H,1-2H2/t3-,4+,5+,6+,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NIZNZEIYXCODQE-UBNJLOLWSA-N