Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38286
Molecular Scaffold
ditH@@RfUlinXZjjjJEbIM@_pfYV@
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@H]1C2)[C@H]2[C@@]2[C@H]1OC[CH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11O/c1-2-9-8-6-3-5(4-6)7(1)8/h1,5-8H,2-4H2/t5?,6?,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MNEZBCGCMLGXEQ-GHNGIAPOSA-N