5-(5-Carboxy-3-pyridyl)isophthalic Acid - CAS 1261960-45-5
Catalog: |
BB006536 |
Product Name: |
5-(5-Carboxy-3-pyridyl)isophthalic Acid |
CAS: |
1261960-45-5 |
Synonyms: |
5-(5-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid; 5-(5-carboxypyridin-3-yl)benzene-1,3-dicarboxylic acid |
IUPAC Name: | 5-(5-carboxypyridin-3-yl)benzene-1,3-dicarboxylic acid |
Description: | 5-(5-Carboxy-3-pyridyl)isophthalic Acid (CAS# 1261960-45-5 ) is a useful research chemical. |
Molecular Weight: | 287.22 |
Molecular Formula: | C14H9NO6 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)C(=O)O)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C14H9NO6/c16-12(17)8-1-7(2-9(3-8)13(18)19)10-4-11(14(20)21)6-15-5-10/h1-6H,(H,16,17)(H,18,19)(H,20,21) |
InChI Key: | GMPJSOVKZWZUOJ-UHFFFAOYSA-N |
LogP: | 1.84320 |
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Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.04298701 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 125 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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