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125545-96-2 | 2-Pyridinecarboxylic acid, 4-hydroxy-, hydrobromide (1:1)
CAS No: 125545-96-2 Catalog No: AG000NTU MDL No:MFCD18070999
Product Description
Catalog Number:
AG000NTU
Chemical Name:
2-Pyridinecarboxylic acid, 4-hydroxy-, hydrobromide (1:1)
CAS Number:
125545-96-2
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
MDL Number:
MFCD18070999
IUPAC Name:
4-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
InChI:
InChI=1S/C6H5NO3.BrH/c8-4-1-2-7-5(3-4)6(9)10;/h1-3H,(H,7,8)(H,9,10);1H
InChI Key:
VPWZSFKFYCXGNB-UHFFFAOYSA-N
SMILES:
Oc1ccnc(c1)C(=O)O.Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.022g/mol
Monoisotopic Mass:
218.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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