| CAS Number | 797038-32-5 |
| Catalog Number | AG00ID2H(AGN-PC-004TYD) |
| Chemical Name | 3-Furancarboxylic acid, tetrahydro-4-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-oxooxolane-3-carboxylate |
| InChI | InChI=1S/C9H14O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6H,4-5H2,1-3H3 |
| InChI Key | VAYGRVNWVNMUQL-UHFFFAOYSA-N |
| MDL Number | MFCD21362347 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | O=C1C(COC1)C(=O)OC(C)(C)C |
| Synonyms | 797038-32-5,
tert-Butyl 4-oxotetrahydrofuran-3-carboxylate,
4-Oxo-tetrahydro-furan-3-carboxylic acid tert-butyl ester,
Tert-butyl 4-oxooxolane-3-carboxylate,
SCHEMBL1267171,
VAYGRVNWVNMUQL-UHFFFAOYSA-N,
ALBB-031539,
MFCD21362347,
AKOS022184626,
AM806145,
AS-39780,
CID11229204,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number