Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
37822
Molecular Scaffold
diLH@@ReYlJnhVzjjjhlQJer@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
C1[C@@]2(COC3)[C@]33[C@@H]1[C@@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-5-6-2-8(5)4-9-3-7(1,6)8/h5-6H,1-4H2/t5-,6-,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VEAKUJIXEGTVRU-XAMCCFCMSA-N