| CAS Number | 66129-60-0 |
| Catalog Number | AG00FE9L(AGN-PC-0TJJ7V) |
| Chemical Name | Ethyl 2-benzoyl-3-(dimethylamino)acrylate |
| IUPAC Name | ethyl (E)-2-benzoyl-3-(dimethylamino)prop-2-enoate |
| InChI | InChI=1S/C14H17NO3/c1-4-18-14(17)12(10-15(2)3)13(16)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b12-10+ |
| InChI Key | YBFKACALUIUGHN-ZRDIBKRKSA-N |
| MDL Number | MFCD00120477 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CCOC(C(C(C1=CC=CC=C1)=O)=CN(C)C)=O |
| Synonyms | ethyl 2-benzoyl-3-(dimethylamino)acrylate,
66129-60-0,
ZINC36421739,
Ethyl 3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enoate,
(E)-2-Benzoyl-3-(dimethylamino)propenoic acid ethyl ester,
CID11770745,
Ethyl (E)-2-benzoyl-3-dimethylamino-prop-2-enoate,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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