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15069-92-8

15069-92-8 | 2-Pyridinecarboxylic acid, 5-hydroxy-

CAS No: 15069-92-8 Catalog No: AG001MT7 MDL No:MFCD00661309

Product Description

Catalog Number:
AG001MT7
Chemical Name:
2-Pyridinecarboxylic acid, 5-hydroxy-
CAS Number:
15069-92-8
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
MDL Number:
MFCD00661309
IUPAC Name:
5-hydroxypyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10)
InChI Key:
CGRRUFNHHQCLDZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(nc1)C(=O)O
NSC Number:
109123

Properties

Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Conformational changes combined with charge-transfer interactions are essential for reduction in catalysis by p-hydroxybenzoate hydroxylase. Biochemistry 20030930

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