Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
37727
Molecular Scaffold
diLH@@RfUtpjknFjjjihRSDTi]@@
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@@H]([C@@H]23)[C@@H]3[C@H]3O[C@@H]2[C@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-2-4-7-5-3(1)6(5)8(4)9-7/h3-8H,1-2H2/t3-,4-,5-,6-,7+,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GROBRXATJYFJMT-YKOWBEQASA-N