| CAS Number | 1461715-17-2 |
| Catalog Number | AG01A6ZB(AGN-PC-0WO6VV) |
| Chemical Name | 3-(5-hydroxypyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(5-hydroxypyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H9NO3/c10-7-3-6(4-9-5-7)1-2-8(11)12/h3-5,10H,1-2H2,(H,11,12) |
| InChI Key | JFTJRBKRPQDGRT-UHFFFAOYSA-N |
| MDL Number | MFCD22412904 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | OC(CCC1=CC(O)=CN=C1)=O |
| Synonyms | 3-(5-hydroxypyridin-3-yl)propanoic acid,
1461715-17-2,
ZINC95348349,
AKOS026728343,
MCULE-3919717539,
NE56446,
Z1675167161,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number