Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
40106
Molecular Scaffold
ditH@@RfzTJa[jjjjRHRABE`x
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)C11[C@@H]2OC[C@]2[CH]C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11O/c1-2-8(3-4-8)7-6(1)5-9-7/h1,6-7H,2-5H2/t6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BIPNDAYGJIAKCS-RNFRBKRXSA-N