Home Carboxys 1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS No.:
1041605-13-3
Catalog Number:
AG01DUXU
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01DUXU
Chemical Name:
1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS Number:
1041605-13-3
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD11122312
IUPAC Name:
1-(2-hydroxyethyl)-6-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c10-4-3-9-5-6(8(12)13)1-2-7(9)11/h1-2,5,10H,3-4H2,(H,12,13)
InChI Key:
ZSJTUWFIMLIJIB-UHFFFAOYSA-N
SMILES:
OCCn1cc(ccc1=O)C(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties