| CAS Number | 117528-23-1 |
| Catalog Number | AG0077QK(AGN-PC-000BIG) |
| Chemical Name | 3-(2-Chloropyrid-5-yl)-propanoic acid |
| IUPAC Name | 3-(6-chloropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8ClNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H,11,12) |
| InChI Key | MQMSQJZCCYCXSO-UHFFFAOYSA-N |
| MDL Number | MFCD11042450 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | C(CC(=O)O)c1ccc(nc1)Cl |
| Synonyms | 117528-23-1,
3-(6-Chloropyridin-3-yl)propanoic acid,
3-Pyridinepropanoicacid, 6-chloro-,
3-(2-Chloropyrid-5-yl)-propanoic acid,
ACMC-20mn8s,
CTK0H3089,
DTXSID90555438,
3-Pyridinepropanoic acid, 6-chloro-,
ZINC39326022,
AKOS006308342,
3-(2-chloropyrid-5-yl)propanoic acid,
MCULE-5091357831,
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| Complexity | 163 |
| 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 | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number