2-(3-Methoxycarbonylphenyl)Isonicotinic acid - CAS 1258627-15-4
Catalog: |
BB076132 |
Product Name: |
2-(3-Methoxycarbonylphenyl)Isonicotinic acid |
CAS: |
1258627-15-4 |
Synonyms: |
2-(3-Methoxycarbonylphenyl)-isonicotinic acid; 2-(3-(Methoxycarbonyl)phenyl)isonicotinic acid; 2-(3-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID; 2-(3-methoxycarbonylphenyl)pyridine-4-carboxylic acid |
IUPAC Name: | 2-(3-methoxycarbonylphenyl)pyridine-4-carboxylic acid |
Description: | 2-(3-Methoxycarbonylphenyl)Isonicotinic acid |
Molecular Weight: | 257.24 |
Molecular Formula: | C14H11NO4 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C2=NC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C14H11NO4/c1-19-14(18)11-4-2-3-9(7-11)12-8-10(13(16)17)5-6-15-12/h2-8H,1H3,(H,16,17) |
InChI Key: | HYEUSAIZCFFSPA-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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