| CAS Number | 1969287-97-5 |
| Catalog Number | AG01B4Z4 |
| Chemical Name | rac-(1R,2S)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid, cis |
| IUPAC Name | 2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C11H17NO3/c13-10-6-3-7-12(10)9-5-2-1-4-8(9)11(14)15/h8-9H,1-7H2,(H,14,15) |
| InChI Key | QNOVAEWJQCXCEE-UHFFFAOYSA-N |
| MDL Number | MFCD30011376 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | OC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O |
| Synonyms | 2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid,
1344240-00-1,
1969287-97-5,
AKOS014147384,
Z2492774465,
Rac-(1R,2S)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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