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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
70985
Molecular Scaffold
daTH@@RfySBZnjjjTbY@@
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@]1(C2)C=C[C@]22[C@@H]1OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-7-2-3-8(4-7)5-9-6(7)8/h2-3,6H,4-5H2,1H3/t6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SFLOYTQNZOHDIR-PRJMDXOYSA-N