| CAS Number | 1240527-31-4 |
| Catalog Number | AG01A9DS(AGN-PC-0WO72Y) |
| Chemical Name | 6-(furan-2-yl)-2-methylpyridine-3-carboxylic acid |
| IUPAC Name | 6-(furan-2-yl)-2-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H9NO3/c1-7-8(11(13)14)4-5-9(12-7)10-3-2-6-15-10/h2-6H,1H3,(H,13,14) |
| InChI Key | SYCIAVUQVWZODV-UHFFFAOYSA-N |
| MDL Number | MFCD16547731 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | CC1=C(C(O)=O)C=CC(C2OC=CC=2)=N1 |
| Synonyms | 6-(furan-2-yl)-2-methylpyridine-3-carboxylic acid,
1240527-31-4,
AC1Q2EKE,
ZINC47844252,
AKOS015868329,
MCULE-9977971316,
NE34282,
EN300-64802,
Z1172115933,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number