| CAS Number | 853179-80-3 |
| Catalog Number | AG00IDMQ(AGN-PC-0OJUKB) |
| Chemical Name | 2-Propenoic Acid, 3-(6-Methyl-2-Pyridinyl)-, Methyl Ester |
| IUPAC Name | methyl (E)-3-(6-methylpyridin-2-yl)prop-2-enoate |
| InChI | InChI=1S/C10H11NO2/c1-8-4-3-5-9(11-8)6-7-10(12)13-2/h3-7H,1-2H3/b7-6+ |
| InChI Key | RERVJXIHGQMDCR-VOTSOKGWSA-N |
| MDL Number | MFCD27947280 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | COC(=O)C=Cc1cccc(C)n1 |
| Synonyms | 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester,
853179-80-3,
(E)-Methyl 3-(6-methylpyridin-2-yl)acrylate,
MFCD27947280,
ZINC216433663,
FCH2506532,
TZ001015,
CS-0037297,
3-(6-Methyl-2-pyridinyl)-2-propenoic acid methyl ester,
210835-90-8,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^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
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