| CAS Number | 13949-98-9 |
| Catalog Number | AG01EJV3 |
| Chemical Name | ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate |
| IUPAC Name | ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate |
| InChI | InChI=1S/C10H14O3/c1-2-13-10(12)9-6-4-3-5-7(11)8(6)9/h6,8-9H,2-5H2,1H3 |
| InChI Key | CZSYBCSTFANLEL-UHFFFAOYSA-N |
| MDL Number | MFCD24493897 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.2164 |
| NSC Number | 194623 |
| SMILES | CCOC(C1C2C1CCCC2=O)=O |
| Synonyms | NSC194623,
AC1L73VY,
SCHEMBL2729352,
NSC-194623,
ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate,
ethyl 5-oxobicyclo[4.1.0]heptane-7-carboxylate,
13949-98-9,
CID303959,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.219g/mol |
| Monoisotopic Mass | 182.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number