Home Carboxys 4,5-Dihydroxy-pyridine-2-carboxylic acid

4,5-Dihydroxy-pyridine-2-carboxylic acid

CAS No.:
43077-77-6
Catalog Number:
AG00DHVX
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
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Product Description
Catalog Number:
AG00DHVX
Chemical Name:
4,5-Dihydroxy-pyridine-2-carboxylic acid
CAS Number:
43077-77-6
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD31381488
IUPAC Name:
5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)7-2-5(4)9/h1-2,9H,(H,7,8)(H,10,11)
InChI Key:
GMYHFMYEZAGTBN-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c(=O)c1)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties