| CAS Number | 87656-22-2 |
| Catalog Number | AG004KVW(AGN-PC-00LEX1) |
| Chemical Name | 1-Cyanocyclopropyl Acetate |
| IUPAC Name | (1-cyanocyclopropyl) acetate |
| InChI | InChI=1S/C6H7NO2/c1-5(8)9-6(4-7)2-3-6/h2-3H2,1H3 |
| InChI Key | VCKOIZBSGDSALQ-UHFFFAOYSA-N |
| MDL Number | MFCD29762575 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | CC(OC1(C#N)CC1)=O |
| Synonyms | 87656-22-2,
1-Cyanocyclopropyl acetate,
Cyclopropanecarbonitrile, 1-(acetyloxy)-,
1-Acetoxycyclopropanecarbonitrile,
CTK3C2671,
DTXSID10526822,
ZINC196564118,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number