Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
67103
Molecular Scaffold
datH@@RfeqbXnkjjjjJDTZ`@
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@]12[C@@]34OC[C@@H]1[C@H]3[C@@H]2C4
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-7-4-2-8(7)6(4)5(7)3-9-8/h4-6H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FBHYDKIJQXJCGQ-SHGPDSBTSA-N