| CAS Number | 1086379-95-4 |
| Catalog Number | AG008S2H(AGN-PC-0WCAYC) |
| Chemical Name | 2-(Furan-2-yl)isonicotinic acid |
| IUPAC Name | 2-(furan-2-yl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13) |
| InChI Key | RDJBDQGUVODXPZ-UHFFFAOYSA-N |
| MDL Number | MFCD09414718 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | OC(C1=CC(C2OC=CC=2)=NC=C1)=O |
| Synonyms | 2-(furan-2-yl)pyridine-4-carboxylic acid,
1086379-95-4,
2-(2-FURYL)ISONICOTINIC ACID,
2-(FURAN-2-YL)ISONICOTINIC ACID,
2-(2-furyl)pyridine-4-carboxylic acid,
CHEMBL3613316,
CTK7J0350,
KS-00003TCZ,
DTXSID50651748,
2-(Furan-2-yl)-isonicotinic acid,
SBB052873,
ZINC20357746,
AKOS006331625,
TS-02665,
F2167-2484,
XXO,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number