| CAS Number | 1250546-24-7 |
| Catalog Number | AG019SYU(AGN-PC-0WO8V7) |
| Chemical Name | 4-(Pyridin-3-yloxy)butanoic acid |
| IUPAC Name | 4-pyridin-3-yloxybutanoic acid |
| InChI | InChI=1S/C9H11NO3/c11-9(12)4-2-6-13-8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,12) |
| InChI Key | INOVLUVEWFOEHX-UHFFFAOYSA-N |
| MDL Number | MFCD16666371 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | OC(CCCOC1=CN=CC=C1)=O |
| Synonyms | 4-(pyridin-3-yloxy)butanoic acid,
1250546-24-7,
ZINC50211380,
AKOS011351457,
MCULE-9159960955,
NE39875,
Z1272096658,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number