| CAS Number | 1823497-00-2 |
| Catalog Number | AG01FN5H(AGN-PC-3H5NCJ) |
| Chemical Name | Carbamic acid, N-(3-ethynylcyclopentyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-ethynylcyclopentyl)carbamate |
| InChI | InChI=1S/C12H19NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,13,14) |
| InChI Key | DTHXBYFRDCALDU-UHFFFAOYSA-N |
| MDL Number | MFCD29046275 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | C#CC1CCC(C1)NC(=O)OC(C)(C)C |
| Synonyms | tert-butyl (3-ethynylcyclopentyl)carbamate,
1823497-00-2,
AKOS026677545,
F2147-2280,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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