5-(4-Methoxyphenyl)nicotinic Acid - CAS 887973-52-6
Catalog: |
BB039213 |
Product Name: |
5-(4-Methoxyphenyl)nicotinic Acid |
CAS: |
887973-52-6 |
Synonyms: |
5-(4-methoxyphenyl)-3-pyridinecarboxylic acid; 5-(4-methoxyphenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(4-methoxyphenyl)pyridine-3-carboxylic acid |
Description: | 5-(4-Methoxyphenyl)nicotinic Acid (CAS# 887973-52-6) is a useful research chemical. |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c1-17-12-4-2-9(3-5-12)10-6-11(13(15)16)8-14-7-10/h2-8H,1H3,(H,15,16) |
InChI Key: | LNDZESDZHPDHJN-UHFFFAOYSA-N |
LogP: | 2.45540 |
Publication Number | Title | Priority Date |
CA-2464981-A1 | Quinoline compound | 20011025 |
CZ-2004634-A3 | The quinoline compound is a method of manufacture and use, and a pharmaceutical composition | 20011025 |
EP-1447402-A1 | Quinoline compound | 20011025 |
HU-0700124-A2 | Quinoline compound | 20011025 |
JP-2004059567-A | Quinoline compounds | 20011025 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Pyridines
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