| CAS Number | 1909306-23-5 |
| Catalog Number | AG01C4QN |
| Chemical Name | 1-[(tert-butoxy)carbonyl]cyclohex-3-ene-1-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]cyclohex-3-ene-1-carboxylic acid |
| InChI | InChI=1S/C12H18O4/c1-11(2,3)16-10(15)12(9(13)14)7-5-4-6-8-12/h4-5H,6-8H2,1-3H3,(H,13,14) |
| InChI Key | ZLHYEHGTPDNOOH-UHFFFAOYSA-N |
| MDL Number | MFCD29906974 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.2689 |
| SMILES | CC(OC(C1(C(O)=O)CC=CCC1)=O)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]cyclohex-3-ene-1-carboxylic acid,
1909306-23-5,
SCHEMBL2173546,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.272g/mol |
| Monoisotopic Mass | 226.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number