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102268-15-5 | 2,3-Pyridinedicarboxylic acid, 5-ethyl-
CAS No: 102268-15-5 Catalog No: AG00071Y MDL No:MFCD00071733
Product Description
Catalog Number:
AG00071Y
Chemical Name:
2,3-Pyridinedicarboxylic acid, 5-ethyl-
CAS Number:
102268-15-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00071733
IUPAC Name:
5-ethylpyridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key:
MTAVBTGOXNGCJR-UHFFFAOYSA-N
SMILES:
CCc1cnc(c(c1)C(=O)O)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds. | Dalton transactions (Cambridge, England : 2003) 20120528 |
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