| CAS Number | 111508-26-0 |
| Catalog Number | AG019ERG(AGN-PC-0NXO7J) |
| Chemical Name | Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate |
| IUPAC Name | ethyl N-(benzylideneamino)-N-prop-2-enylcarbamate |
| InChI | InChI=1S/C13H16N2O2/c1-3-10-15(13(16)17-4-2)14-11-12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3 |
| InChI Key | VPNCLKWEWRFDOA-UHFFFAOYSA-N |
| MDL Number | MFCD28991896 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | CCOC(=O)N(CC=C)/N=C/c1ccccc1 |
| Synonyms | Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate,
111508-26-0,
(E)-Ethyl 1-Allyl-2-Benzylidenehydrazinecarboxylate(WXC01003),
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number