| CAS Number | 1268842-79-0 |
| Catalog Number | AG01C28H(AGN-PC-0WCMRZ) |
| Chemical Name | 1-(tert-Butoxycarbonyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H14O4/c1-8(2,3)13-7(12)9(4-5-9)6(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChI Key | FSQXAHDYGFYONQ-UHFFFAOYSA-N |
| MDL Number | MFCD22372629 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | C(C)(C)(C)OC(=O)C1(CC1)C(=O)O |
| Synonyms | 1-(tert-butoxycarbonyl)cyclopropanecarboxylic acid,
1268842-79-0,
1-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid,
SCHEMBL8880684,
FSQXAHDYGFYONQ-UHFFFAOYSA-N,
WT1252,
ZINC82073990,
AKOS023769876,
Z2293607464,
88950-64-5,
|
| Complexity | 245 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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