| CAS Number | 205877-92-5 |
| Catalog Number | AG00BN2P |
| Chemical Name | Carbamic acid, (4-oxo-2-cyclohexen-1-yl)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate |
| InChI | InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14) |
| InChI Key | QGAMBGGFAOFTCM-UHFFFAOYSA-N |
| MDL Number | MFCD07787448 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | O=C(OC(C)(C)C)NC1C=CC(CC1)=O |
| Synonyms | 205877-92-5,
tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate,
CTK8H5328,
Carbamic acid, (4-oxo-2-cyclohexen-1-yl)-, 1,1-dimethylethyl ester (9CI),
CS-0080234,
(R)-tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate,
4-(tert-Butyloxycarbonylamino)-2-cyclohexene-1-one,
TERT-BUTYL N-(4-OXOCYCLOHEX-2-EN-1-YL)CARBAMATE,
455330-42-4,
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| Complexity | 289 |
| 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 | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number