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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38491
Molecular Scaffold
diLH@@RfmdsJ[nFjjjhhfHer@
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]2[C@@]3(C4)OC[C@@]34C[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-5-2-7-3-8(7,6(1)5)9-4-7/h5-6H,1-4H2/t5-,6-,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CYVXQNWQMCZERL-DKXJUACHSA-N