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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)C(=C1CCOCC1)NC(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | methyl 2-(oxan-4-ylidene)-2-(phenylmethoxycarbonylamino)acetate |
| InChIKey | WSSDTJRIABIZQT-UHFFFAOYSA-N |
| INCHI | 1S/C16H19NO5/c1-20-15(18)14(13-7-9-21-10-8-13)17-16(19)22-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,19) |
| Molecular Weight | 305.32 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Alpha amino acids and derivatives Oxanes Methyl esters Enoate esters Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzyloxycarbonyl - Oxane - Carbamic acid ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 305.320 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 305.126 Da |
| Monoisotopic Mass | 305.126 Da |
| Topological Polar Surface Area | 73.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Acetic acid, [[(phenylmethoxy)carbonyl]amino](tetrahydro-4H-pyran-4-ylidene)-, methyl ester , CAS No.477584-90-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)