Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
110401
Molecular Scaffold
dndH@@RYoBrjYjjhdfHiR@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
CC[C@H]([C@H]1[C@H]23)[C@H]3[C@@H]1C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-2-3-4-6-5(3)7(4)8(6)9/h3-7H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XOHNBZLWPINZSA-UHFFFAOYSA-N