Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
74385
Molecular Scaffold
dndH@@RfUBJjZjfhhbPeT@
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@]12C=C(C)[C@@H]3O[C@H]1[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-4-3-8(2)5-6(4)9-7(5)8/h3,5-7H,1-2H3/t5-,6+,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WUQZOJQWTIPUMN-ULAWRXDQSA-N