Home Other Building Blocks 3-HYDROXY-2-(5-HYDROXYPENTYL)CHROMEN-4-ONE

3-HYDROXY-2-(5-HYDROXYPENTYL)CHROMEN-4-ONE

CAS No.:
267400-83-9
Catalog Number:
AG00C2UU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C2UU
Chemical Name:
3-HYDROXY-2-(5-HYDROXYPENTYL)CHROMEN-4-ONE
CAS Number:
267400-83-9
MDL Number:
MFCD04039555
IUPAC Name:
3-hydroxy-2-(5-hydroxypentyl)chromen-4-one
InChI:
InChI=1S/C14H16O4/c15-9-5-1-2-8-12-14(17)13(16)10-6-3-4-7-11(10)18-12/h3-4,6-7,15,17H,1-2,5,8-9H2
InChI Key:
PCZKMCHOYIIVBV-UHFFFAOYSA-N
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
pH indicator titration: a novel fast pKa determination method. Journal of pharmaceutical sciences 20071001
3-Hydroxy-2-(5-hydroxypentyl)-4H-chromen-4-one: a bidentate or tridentate iron(III) ligand? Journal of medicinal chemistry 20060518
Design, synthesis, and physicochemical and biological characterization of a new iron chelator of the family of hydroxychromenes. Journal of medicinal chemistry 20021219
Properties