| CAS Number | 1272838-47-7 |
| Catalog Number | AG01A17Z |
| Chemical Name | 5-(2,3-Dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H11NO3/c16-14(17)12-6-11(7-15-8-12)9-1-2-13-10(5-9)3-4-18-13/h1-2,5-8H,3-4H2,(H,16,17) |
| InChI Key | MWENGLGTBLDDKQ-UHFFFAOYSA-N |
| MDL Number | MFCD16200866 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.2420 |
| SMILES | OC(C1=CC(C2=CC3=C(OCC3)C=C2)=CN=C1)=O |
| Synonyms | 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid,
1272838-47-7,
ZINC49628929,
AKOS005978476,
MCULE-3791711711,
NE23362,
Z1456202716,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.246g/mol |
| Monoisotopic Mass | 241.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number