4-(3-Methoxypyridin-2-yl)benzoic acid - CAS 849757-80-8
Catalog: |
BB076179 |
Product Name: |
4-(3-Methoxypyridin-2-yl)benzoic acid |
CAS: |
849757-80-8 |
Synonyms: |
4-(3-Methoxypyridin-2-yl)benzoic acid; Benzoic acid, 4-(3-methoxy-2-pyridinyl)-; 4-(3-METHOXY(PYRIDIN-2-YL))BENZOIC ACID |
IUPAC Name: | 4-(3-methoxypyridin-2-yl)benzoic acid |
Description: | 4-(3-Methoxypyridin-2-yl)benzoic acid |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | COC1=C(N=CC=C1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c1-17-11-3-2-8-14-12(11)9-4-6-10(7-5-9)13(15)16/h2-8H,1H3,(H,15,16) |
InChI Key: | UPPWELHQGMFLTO-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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