| CAS Number | 1909305-87-8 |
| Catalog Number | AG01C1RG |
| Chemical Name | ethyl 4-cyano-2-(2-cyanoethyl)-2-cyclopropanecarbonylbutanoate |
| IUPAC Name | ethyl 4-cyano-2-(2-cyanoethyl)-2-(cyclopropanecarbonyl)butanoate |
| InChI | InChI=1S/C14H18N2O3/c1-2-19-13(18)14(7-3-9-15,8-4-10-16)12(17)11-5-6-11/h11H,2-8H2,1H3 |
| InChI Key | HNVLGOJMYPTSHH-UHFFFAOYSA-N |
| MDL Number | MFCD29047421 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | CCOC(C(C(C1CC1)=O)(CCC#N)CCC#N)=O |
| Synonyms | ethyl 4-cyano-2-(2-cyanoethyl)-2-cyclopropanecarbonylbutanoate,
1909305-87-8,
AKOS033821569,
ZINC299805301,
EN300-248479,
Z2240989714,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number