Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
106196
Molecular Scaffold
dnTH@@Rf[BrbZfjjjjbHbeIh@
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@]12[C@H]3O[C@H]4[C@@H]2[C@H]4[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-2-8-4-3-5(8)7(8)9-6(3)4/h3-7H,2H2,1H3/t3-,4-,5+,6+,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XAGXRUKKLLEASY-RVVFJPCRSA-N