| CAS Number | 1211533-45-7 |
| Catalog Number | AG018HBL(AGN-PC-0WO6ZF) |
| Chemical Name | 2-(Oxolan-3-yloxy)pyridine-4-carboxylic acid |
| IUPAC Name | 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H11NO4/c12-10(13)7-1-3-11-9(5-7)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13) |
| InChI Key | YCDWONJBBVJNSS-UHFFFAOYSA-N |
| MDL Number | MFCD18259827 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | OC(C1=CC(OC2COCC2)=NC=C1)=O |
| Synonyms | 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid,
1211533-45-7,
2-((tetrahydrofuran-3-yl)oxy)isonicotinic acid,
SCHEMBL17572877,
AKOS012868211,
MCULE-4991737029,
NE26573,
F2147-2101,
Z1664966253,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number