Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
38231
Molecular Scaffold
diLH@@RfeZa[nFjjjjhfQetF@@
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@]23OC[C@@H]4[C@H]2[C@@H]4[C@H]1C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-4-2-8(1)7-5(3-9-8)6(4)7/h4-7H,1-3H2/t4?,5-,6+,7+,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BJVDQEJWFICUIE-DBUGJOGTSA-N