| CAS Number | 68882-32-6 |
| Catalog Number | AG00IBVN(AGN-PC-0NH2AF) |
| Chemical Name | Ethyl 1-cyanocyclopent-3-ene-1-carboxylate |
| IUPAC Name | ethyl 1-cyanocyclopent-3-ene-1-carboxylate |
| InChI | InChI=1S/C9H11NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h3-4H,2,5-6H2,1H3 |
| InChI Key | RDIIJCALQSVZDW-UHFFFAOYSA-N |
| MDL Number | MFCD21950308 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | C(#N)C1(CC=CC1)C(=O)OCC |
| Synonyms | Ethyl 1-cyanocyclopent-3-ene-1-carboxylate,
68882-32-6,
SCHEMBL13887043,
MFCD21950308,
ZINC38324889,
AKOS018115783,
NE54429,
PB28856,
ethyl 1-cyanocyclopent-3-enecarboxylate,
AS-51587,
DA-04261,
CS-0055384,
FT-0749525,
1-Cyano-3-cyclopentene-1-carboxylic acid ethyl ester,
3-Cyclopentene-1-carboxylic acid, 1-cyano-, ethyl ester,
CID11171165,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number