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Home > Imidazoles > 866138-13-8
866138-13-8 | 3-hexyl-4-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-1,2-dihydropyridin-2-one
CAS No: 866138-13-8 Catalog No: AG00IVXY MDL No:MFCD05668880
Product Description
Catalog Number:
AG00IVXY
Chemical Name:
3-hexyl-4-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-1,2-dihydropyridin-2-one
CAS Number:
866138-13-8
Molecular Formula:
C16H23N3O2
Molecular Weight:
289.3727
MDL Number:
MFCD05668880
IUPAC Name:
3-hexyl-4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-one
InChI:
InChI=1S/C16H23N3O2/c1-2-3-4-5-6-14-15(20)8-10-19(16(14)21)9-7-13-11-17-12-18-13/h8,10-12,20H,2-7,9H2,1H3,(H,17,18)
InChI Key:
AFUQCMNEELPMCG-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(O)ccn(c1=O)CCc1c[nH]cn1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.379g/mol
Monoisotopic Mass:
289.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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