| CAS Number | 797038-34-7 |
| Catalog Number | AG00G8M2(AGN-PC-004CBY) |
| Chemical Name | tert-Butyl 2,5-dihydrofuran-3-carboxylate |
| IUPAC Name | tert-butyl 2,5-dihydrofuran-3-carboxylate |
| InChI | InChI=1S/C9H14O3/c1-9(2,3)12-8(10)7-4-5-11-6-7/h4H,5-6H2,1-3H3 |
| InChI Key | SEBXANQHCVSIRF-UHFFFAOYSA-N |
| MDL Number | MFCD28145182 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | O=C(C1=CCOC1)OC(C)(C)C |
| Synonyms | Tert-butyl 2,5-dihydrofuran-3-carboxylate,
797038-34-7,
t-butyl 2,5-dihydrofuran-3-carboxylate,
SCHEMBL1268010,
SEBXANQHCVSIRF-UHFFFAOYSA-N,
ALBB-031541,
MFCD28145182,
ZINC38363129,
AKOS034831981,
DA-41331,
FT-0708365,
2,5-Dihydrofuran-3-carboxylic acid tert-butyl ester,
CID11206018,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^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