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1194707-71-5 | 2-Pyridinecarboxylic acid, 5-hydroxy-, hydrate (1:1)
CAS No: 1194707-71-5 Catalog No: AG000P7L MDL No:MFCD04112465
Product Description
Catalog Number:
AG000P7L
Chemical Name:
2-Pyridinecarboxylic acid, 5-hydroxy-, hydrate (1:1)
CAS Number:
1194707-71-5
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
MDL Number:
MFCD04112465
IUPAC Name:
5-hydroxypyridine-2-carboxylic acid;hydrate
InChI:
InChI=1S/C6H5NO3.H2O/c8-4-1-2-5(6(9)10)7-3-4;/h1-3,8H,(H,9,10);1H2
InChI Key:
WFYWFVYYQRWBPG-UHFFFAOYSA-N
SMILES:
Oc1ccc(nc1)C(=O)O.O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
157.125g/mol
Monoisotopic Mass:
157.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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