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5223-10-9

5223-10-9 | 4-O-benzoyl pyridoxine

CAS No: 5223-10-9 Catalog No: AG00E0LQ MDL No:

Product Description

Catalog Number:
AG00E0LQ
Chemical Name:
4-O-benzoyl pyridoxine
CAS Number:
5223-10-9
IUPAC Name:
[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl benzoate
InChI:
InChI=1S/C15H15NO4/c1-10-14(18)13(12(8-17)7-16-10)9-20-15(19)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3
InChI Key:
VYPDKSKLULNJPO-UHFFFAOYSA-N

Properties

Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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