| CAS Number | 1020965-27-8 |
| Catalog Number | AG01C4OK |
| Chemical Name | 3-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | NFRPKIATGQQKHI-UHFFFAOYSA-N |
| MDL Number | MFCD22416341 |
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.2848 |
| SMILES | C(C)(C)(C)OC(=O)C1CC(CCC1)C(=O)O |
| Synonyms | 3-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid,
1020965-27-8,
SCHEMBL1296379,
NFRPKIATGQQKHI-UHFFFAOYSA-N,
AKOS033905267,
3-(tert-Butoxycarbonyl)cyclohexanecarboxylic acid,
3-(tert-butoxycarbonyl)cyclohexane-carboxylic acid,
Z2418193626,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.288g/mol |
| Monoisotopic Mass | 228.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number