| CAS Number | 1414958-19-2 |
| Catalog Number | AG009K1G(AGN-PC-0WNXBR) |
| Chemical Name | tert-butyl 1-cyanocyclopropane-1-carboxylate |
| IUPAC Name | tert-butyl 1-cyanocyclopropane-1-carboxylate |
| InChI | InChI=1S/C9H13NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-5H2,1-3H3 |
| InChI Key | MKWBPXNKDXMTRP-UHFFFAOYSA-N |
| MDL Number | MFCD22689189 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | CC(OC(C1(C#N)CC1)=O)(C)C |
| Synonyms | 1-Cyano-cyclopropanecarboxylic acid tert-butyl ester,
1414958-19-2,
tert-butyl 1-cyanocyclopropane-1-carboxylate,
SCHEMBL19332413,
ZINC95635078,
AKOS033887448,
Z-5653,
Z2379802547,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number