2-Hydroxy-5-phenylnicotinic acid - CAS 10177-08-9
Catalog: |
BB063971 |
Product Name: |
2-Hydroxy-5-phenylnicotinic acid |
CAS: |
10177-08-9 |
Synonyms: |
2-Oxo-5-phenyl-1,2-dihydropyridine-3-carboxylic acid; 2-HYDROXY-5-PHENYLNICOTINIC ACID; 2-oxo-5-phenyl-1H-pyridine-3-carboxylic Acid; 2-Oxo-5-phenyl-1,2-dihydropyridine-3-carboxylicacid |
IUPAC Name: | 2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid |
Description: | 2-Hydroxy-5-phenylnicotinic acid |
Molecular Weight: | 215.21 |
Molecular Formula: | C12H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CNC(=O)C(=C2)C(=O)O |
InChI: | InChI=1S/C12H9NO3/c14-11-10(12(15)16)6-9(7-13-11)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16) |
InChI Key: | SIHMMTANWQXEHE-UHFFFAOYSA-N |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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