| CAS Number | 551000-83-0 |
| Catalog Number | AG00DPD6(AGN-PC-0SIPTW) |
| Chemical Name | Carbamic acid, [(1R,4S)-4-hydroxy-2-cyclohexen-1-yl]-, 1,1-dimethylethyl |
| IUPAC Name | tert-butyl-[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]carbamic acid |
| InChI | InChI=1S/C11H19NO3/c1-11(2,3)12(10(14)15)8-4-6-9(13)7-5-8/h4,6,8-9,13H,5,7H2,1-3H3,(H,14,15)/t8-,9+/m0/s1 |
| InChI Key | SUDMUUGFWZCDDO-DTWKUNHWSA-N |
| MDL Number | MFCD21608963 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | N(C(OC(C)(C)C)=O)[C@@H]1CC[C@H](O)C=C1 |
| Synonyms | 551000-83-0,
tert-Butyl((1R,4S)-4-hydroxycyclohex-2-en-1-yl)carbamic acid,
AKOS027409610,
Carbamicacid,[ -4-hydroxy-2-cyclohexen-1-yl]-,1,1-dimethylethyl,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number