Home Carboxys 4,5-dihydroxy-2-pyridinecarboxylic acid hydrate

4,5-dihydroxy-2-pyridinecarboxylic acid hydrate

CAS No.:
2105838-80-8
Catalog Number:
AG00J0XC
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J0XC
Chemical Name:
4,5-dihydroxy-2-pyridinecarboxylic acid hydrate
CAS Number:
2105838-80-8
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
MDL Number:
MFCD31381488
IUPAC Name:
5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid;hydrate
InChI:
InChI=1S/C6H5NO4.H2O/c8-4-1-3(6(10)11)7-2-5(4)9;/h1-2,9H,(H,7,8)(H,10,11);1H2
InChI Key:
LCCCLIHYFSWZKY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(c(c1)O)O.O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
173.124g/mol
Monoisotopic Mass:
173.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties