| CAS Number | 635318-61-5 |
| Catalog Number | AG01B57T(AGN-PC-0OE8ZN) |
| Chemical Name | 1-(tert-Butoxycarbonyl)cyclopent-3-ene-1-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopent-3-ene-1-carboxylic acid |
| InChI | InChI=1S/C11H16O4/c1-10(2,3)15-9(14)11(8(12)13)6-4-5-7-11/h4-5H,6-7H2,1-3H3,(H,12,13) |
| InChI Key | RZAVTKUGXSBXKP-UHFFFAOYSA-N |
| MDL Number | MFCD24483723 |
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.2423 |
| SMILES | O=C(C1(C(O)=O)CC=CC1)OC(C)(C)C |
| Synonyms | 635318-61-5,
1-[(tert-butoxy)carbonyl]cyclopent-3-ene-1-carboxylic acid,
SCHEMBL1087991,
AKOS033934088,
ZINC115203229,
3-Cyclopentene-1,1-dicarboxylic acid 1-tert-butyl ester,
cyclopent-3-ene-1,1-dicarboxylic acid tert-butyl ester,
Z2513336643,
3-cyclopentene-1,1-dicarboxylic acid mono(1,1-dimethylethyl) ester,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.245g/mol |
| Monoisotopic Mass | 212.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number