4-(Furan-2-yl)nicotinic acid - CAS 1261961-41-4
Catalog: |
BB064503 |
Product Name: |
4-(Furan-2-yl)nicotinic acid |
CAS: |
1261961-41-4 |
Synonyms: |
4-(FURAN-2-YL)NICOTINIC ACID; 4-(furan-2-yl)pyridine-3-carboxylic acid; 4-(FURAN-2-YL)NICOTINICACID |
IUPAC Name: | 4-(furan-2-yl)pyridine-3-carboxylic acid |
Description: | 4-(Furan-2-yl)nicotinic acid |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=COC(=C1)C2=C(C=NC=C2)C(=O)O |
InChI: | InChI=1S/C10H7NO3/c12-10(13)8-6-11-4-3-7(8)9-2-1-5-14-9/h1-6H,(H,12,13) |
InChI Key: | STSMEPBGTPOPOK-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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