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189573-63-5 | [2,2'-Bipyridine]-3,3'-dicarboxylic acid, hydrate (1:1)
CAS No: 189573-63-5 Catalog No: AG002DR7 MDL No:
Product Description
Catalog Number:
AG002DR7
Chemical Name:
[2,2'-Bipyridine]-3,3'-dicarboxylic acid, hydrate (1:1)
CAS Number:
189573-63-5
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
2-(3-carboxypyridin-2-yl)pyridine-3-carboxylic acid;hydrate
InChI:
InChI=1S/C12H8N2O4.H2O/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10;/h1-6H,(H,15,16)(H,17,18);1H2
InChI Key:
PVIIUWUGTFUQSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1c1ncccc1C(=O)O.O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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