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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
78983
Molecular Scaffold
dnT@@DjYRlKFIjjjjhRKHRZ@@
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([C@@H]2[C@@H]3[C@H]1[C@H]31)[C@@H]1[C@@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-8-4-2-3(4)6(8)7(9)5(2)8/h2-7,9H,1H3/t2-,3+,4-,5-,6-,7+,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IZVQHCOTOVLVKF-OBFFWRHJSA-N