| CAS Number | 3511-34-0 |
| Catalog Number | AG00VSQF(AGN-PC-0NIF3O) |
| Chemical Name | Ethyl 2-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate |
| IUPAC Name | ethyl 2-methyl-4-oxofuran-3-carboxylate |
| InChI | InChI=1S/C8H10O4/c1-3-11-8(10)7-5(2)12-4-6(7)9/h3-4H2,1-2H3 |
| InChI Key | DLCRRDMHCZRVPB-UHFFFAOYSA-N |
| MDL Number | MFCD06251769 |
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.1626 |
| SMILES | O=C(OCC)C1=C(OCC1=O)C |
| Synonyms | 3511-34-0,
ethyl 2-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate,
ST51035772,
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-4-oxo-, ethyl ester,
4-ethoxycarbonyl-5-methyl-3-oxo-2,3-dihydrofuran,
SCHEMBL18605429,
CTK1B7204,
DTXSID80485194,
ZINC16682559,
AKOS024385178,
MCULE-1093651177,
NS-01380,
ethyl 2-methyl-4-oxo-5-hydrofuran-3-carboxylate,
ethyl 2-methyl-4-oxofuran-3-carboxylate,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.164g/mol |
| Monoisotopic Mass | 170.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number