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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
77772
Molecular Scaffold
dnDH@@RYXjiffjcH@
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[C@@H]([C@@H]12)[C@]2(C)C=CC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-5-7-6(9)3-4-8(5,7)2/h3-5,7H,1-2H3/t5-,7+,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WDEUCMWYGKGBMZ-DTLFHODZSA-N