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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
40070
Molecular Scaffold
ditH@@rQRJWFJnFjjjdQL`_pfXv@
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(C1)C11O[C@@H](CC2)[C@]2[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11O/c1-2-7-6(1)5-8(9-7)3-4-8/h5-7H,1-4H2/t6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XVRBCJPPYZOUMA-RQJHMYQMSA-N