| CAS Number | 1072855-68-5 |
| Catalog Number | AG01FM1R(AGN-PC-3H5M69) |
| Chemical Name | 6-((Tetrahydrofuran-3-yl)oxy)nicotinic acid |
| IUPAC Name | 6-(oxolan-3-yloxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO4/c12-10(13)7-1-2-9(11-5-7)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6H2,(H,12,13) |
| InChI Key | NFRNOHBFHSPSFW-UHFFFAOYSA-N |
| MDL Number | MFCD18259826 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | OC(=O)C1=CN=C(C=C1)OC2COCC2 |
| Synonyms | 6-((tetrahydrofuran-3-yl)oxy)nicotinic acid,
1072855-68-5,
SCHEMBL797553,
NFRNOHBFHSPSFW-UHFFFAOYSA-N,
AKOS012865575,
6-(tetrahydrofuran-3-yloxy)nicotinic acid,
6-(Tetrahydro-furan-3-yloxy)-nicotinic acid,
6-(oxolan-3-yloxy)pyridine-3-carboxylic acid,
A1-09173,
F2147-2100,
|
| 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 |
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Certificate of Analysis
Lot Number