| CAS Number | 2137929-87-2 |
| Catalog Number | AG01EIRO |
| Chemical Name | methyl 1-methoxycycloheptane-1-carboxylate |
| IUPAC Name | methyl 1-methoxycycloheptane-1-carboxylate |
| InChI | InChI=1S/C10H18O3/c1-12-9(11)10(13-2)7-5-3-4-6-8-10/h3-8H2,1-2H3 |
| InChI Key | PYMFFUQMXIONBZ-UHFFFAOYSA-N |
| MDL Number | MFCD31457003 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | COC(C1(OC)CCCCCC1)=O |
| Synonyms | methyl 1-methoxycycloheptane-1-carboxylate,
2137929-87-2,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number