Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
78677
Molecular Scaffold
dndH@@RYoBrjYjjkLaJh@
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]([C@@H]1[C@@H]23)[C@@H]3[C@@]1(C)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-3-5-4-6(3)8(5,2)7(4)9/h3-6H,1-2H3/t3-,4+,5-,6-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WAPOQKHBBJBJPB-KYRVAOBLSA-N