| CAS Number | 67752-28-7 |
| Catalog Number | AG0063F2(AGN-PC-0OGC3Y) |
| Chemical Name | 3-(Quinolin-3-Yl)Propanoic Acid |
| IUPAC Name | 3-quinolin-3-ylpropanoic acid |
| InChI | InChI=1S/C12H11NO2/c14-12(15)6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,7-8H,5-6H2,(H,14,15) |
| InChI Key | PDVKRIXEUOTSJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11040743 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | O=C(O)CCC1=CC2=CC=CC=C2N=C1 |
| Synonyms | 3-(QUINOLIN-3-YL)PROPANOIC ACID,
67752-28-7,
3-Quinolinepropanoic acid,
3-Quinolin-3-yl-propionic acid,
quinoline-3-propionic acid,
3-(3-quinolyl)propionic acid,
SCHEMBL2846347,
3-(3-quinolinyl)propanoic acid,
CTK5C6621,
DTXSID10497240,
PDVKRIXEUOTSJQ-UHFFFAOYSA-N,
MFCD11040743,
ZINC35569622,
AKOS015151575,
KS-000019J3,
Z1945695955,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number