| CAS Number | 17202-57-2 |
| Catalog Number | AG00B5S5 |
| Chemical Name | Ethyl spiro[2.3]hexane-1-carboxylate |
| IUPAC Name | ethyl spiro[2.3]hexane-2-carboxylate |
| InChI | InChI=1S/C9H14O2/c1-2-11-8(10)7-6-9(7)4-3-5-9/h7H,2-6H2,1H3 |
| InChI Key | NMHNCGKWEZUMIX-UHFFFAOYSA-N |
| MDL Number | MFCD31617751 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | CCOC(C1C2(CCC2)C1)=O |
| Synonyms | Ethyl spiro[2.3]hexane-1-carboxylate,
17202-57-2,
CID533443,
NMHNCGKWEZUMIX-UHFFFAOYSA-N,
Spiro[2.3]hexane-1-carboxylic acid ethyl ester,
Spirohexane-1-carboxylic acid, ethyl ester,
AC1LBD26,
SCHEMBL16369922,
CTK6F6079,
ethyl spiro[2.3]hexane-2-carboxylate,
Ethyl spiro[2.3]hexane-1-carboxylate #,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number