| CAS Number | 1432680-30-2 |
| Catalog Number | AG01A2EP(AGN-PC-0WO4KF) |
| Chemical Name | Tert-butyl 2-(4,5-dihydrofuran-3-yl)-2-oxoacetate |
| IUPAC Name | tert-butyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate |
| InChI | InChI=1S/C10H14O4/c1-10(2,3)14-9(12)8(11)7-4-5-13-6-7/h6H,4-5H2,1-3H3 |
| InChI Key | VOJNTKDWTDOMJH-UHFFFAOYSA-N |
| MDL Number | MFCD24369082 |
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.2158 |
| SMILES | CC(OC(C(C1CCOC=1)=O)=O)(C)C |
| Synonyms | tert-butyl 2-(4,5-dihydrofuran-3-yl)-2-oxoacetate,
1432680-30-2,
ZINC95218168,
AKOS026727576,
NE39399,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.218g/mol |
| Monoisotopic Mass | 198.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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