| CAS Number | 347186-55-4 |
| Catalog Number | AG00D52A(AGN-PC-0WO9YC) |
| Chemical Name | 2-(Pyridin-3-yloxy)propanoic acid |
| IUPAC Name | 2-pyridin-3-yloxypropanoic acid |
| InChI | InChI=1S/C8H9NO3/c1-6(8(10)11)12-7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11) |
| InChI Key | ZREDEAUTHWGQBB-UHFFFAOYSA-N |
| MDL Number | MFCD09034756 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CC(C(O)=O)OC1=CN=CC=C1 |
| Synonyms | 2-(pyridin-3-yloxy)propanoic acid,
347186-55-4,
Propanoic acid, 2-(3-pyridinyloxy)- (9CI),
SCHEMBL238960,
2-(3-pyridyloxy)propanoic acid,
CTK8I3379,
ZREDEAUTHWGQBB-UHFFFAOYSA-N,
2-(Pyridin-3-yloxy)-propionic acid,
BBL025738,
STL382080,
AKOS000479384,
AKOS016904408,
MCULE-9438736579,
T7726,
EN300-80360,
Z1259341090,
Propanoicacid,2- -,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number