4-(5-Methoxypyridin-3-yl)benzoic acid - CAS 1373232-70-2
Catalog: |
BB076183 |
Product Name: |
4-(5-Methoxypyridin-3-yl)benzoic acid |
CAS: |
1373232-70-2 |
Synonyms: |
4-(5-Methoxypyridin-3-yl)benzoic acid; 4-(5-Methoxypyridin-3-yl)benzoicacid |
IUPAC Name: | 4-(5-methoxypyridin-3-yl)benzoic acid |
Description: | 4-(5-Methoxypyridin-3-yl)benzoic acid |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | COC1=CN=CC(=C1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c1-17-12-6-11(7-14-8-12)9-2-4-10(5-3-9)13(15)16/h2-8H,1H3,(H,15,16) |
InChI Key: | YFAPUFRJGDNTOE-UHFFFAOYSA-N |
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: | 59.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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