| CAS Number | 26413-65-0 |
| Catalog Number | AG002T4C(AGN-PC-07ASLG) |
| Chemical Name | 3-(2-Methyl-Pyridin-4-Yl)-Propionic Acid |
| IUPAC Name | 3-(2-methylpyridin-4-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-6-8(4-5-10-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12) |
| InChI Key | NWCOFMZVFDRCBB-UHFFFAOYSA-N |
| MDL Number | MFCD19981669 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC1=NC=CC(CCC(O)=O)=C1 |
| Synonyms | 26413-65-0,
3-(2-Methyl-pyridin-4-yl)-propionic acid,
3-(2-Methylpyridin-4-yl)propanoic acid,
SCHEMBL2961287,
CTK1A0046,
DTXSID80668581,
4-pyridinePropanoic acid,2-methyl-,
4-Pyridinepropanoicacid, 2-methyl-,
KS-00001AB7,
4-Pyridinepropanoic acid, 2-methyl-,
MFCD19981669,
ZINC39120763,
AS-39754,
CS-0038487,
4-Pyridinepropionic acid, 2-methyl- (8CI),
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number