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38076-76-5 | 6-Chloro-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CAS No: 38076-76-5 Catalog No: AG0038R8 MDL No:MFCD18343615
Product Description
Catalog Number:
AG0038R8
Chemical Name:
6-Chloro-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CAS Number:
38076-76-5
Molecular Formula:
C6H4ClNO3
Molecular Weight:
173.5539
MDL Number:
MFCD18343615
IUPAC Name:
6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4ClNO3/c7-4-2-1-3(6(10)11)5(9)8-4/h1-2H,(H,8,9)(H,10,11)
InChI Key:
HLXITPCEBVXBDJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc([nH]c1=O)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.988g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.552g/mol
Monoisotopic Mass:
172.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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