| CAS Number | 57690-99-0 |
| Catalog Number | AG01DHAK(AGN-PC-0OCLL9) |
| Chemical Name | ethyl 2-[(2E)-5-oxo-2,5-dihydrofuran-2-ylidene]acetate |
| IUPAC Name | ethyl (2E)-2-(5-oxofuran-2-ylidene)acetate |
| InChI | InChI=1S/C8H8O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-5H,2H2,1H3/b6-5+ |
| InChI Key | KAESMWOYICBQIZ-AATRIKPKSA-N |
| MDL Number | MFCD29477669 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | CCOC(=O)C=C1OC(=O)C=C1 |
| Synonyms | Ethyl 2-(5-oxofuran-2(5H)-ylidene)acetate,
74784-62-6,
ZINC216277760,
Acetic acid,(5-oxo-2(5H)-furanylidene)-, ethyl ester,(2E),
57690-99-0,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 168.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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