| CAS Number | 36599-14-1 |
| Catalog Number | AG01DT9I(AGN-PC-009YMO) |
| Chemical Name | 5-(3-Pyridinyl)pentanoic acid |
| IUPAC Name | 5-pyridin-3-ylpentanoic acid |
| InChI | InChI=1S/C10H13NO2/c12-10(13)6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4,6H2,(H,12,13) |
| InChI Key | LURDQLDPBFMVFX-UHFFFAOYSA-N |
| MDL Number | MFCD19704649 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | N1=CC(=CC=C1)CCCCC(=O)O |
| Synonyms | 5-(3-pyridinyl)pentanoic acid,
36599-14-1,
5-(pyridin-3-yl)-pentanoic acid,
CHEMBL544201,
3-pyridinevaleric acid,
3-pyridine pentanoic acid,
SCHEMBL744045,
5-(3-pyridyl)-pentanic acid,
CHEMBL1192885,
LURDQLDPBFMVFX-UHFFFAOYSA-N,
BDBM50028757,
MFCD19704649,
5-Pyridin-3-yl-pentanoic acid; hydrochloride,
5-pyridin-3-ylpentanoic Acid,
5-(pyridin-3-yl)pentanoic acid,
CID11480797,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number