| CAS Number | 866629-21-2 |
| Catalog Number | AG00H3M5(AGN-PC-0V7PMM) |
| Chemical Name | 2-(6-Chloropyridin-3-YL)propanoic acid |
| IUPAC Name | 2-(6-chloropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8ClNO2/c1-5(8(11)12)6-2-3-7(9)10-4-6/h2-5H,1H3,(H,11,12) |
| InChI Key | DRPAFECWIBKIAL-UHFFFAOYSA-N |
| MDL Number | MFCD15144713 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | CC(C1=CN=C(Cl)C=C1)C(O)=O |
| Synonyms | 2-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID,
866629-21-2,
2-(2-Chloro-5-pyridinyl)propionic acid,
SCHEMBL1747676,
DRPAFECWIBKIAL-UHFFFAOYSA-N,
MFCD15144713,
AKOS006334480,
AS-39210,
DA-02302,
FT-0740438,
3-Pyridineacetic acid, 6-chloro-alpha-methyl-,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number