| CAS Number | 1033707-26-4 |
| Catalog Number | AG01FI7B(AGN-PC-3H5G4N) |
| Chemical Name | ethyl 2-chloro-3-cyclopropyl-3-oxopropanoate |
| IUPAC Name | ethyl 2-chloro-3-cyclopropyl-3-oxopropanoate |
| InChI | InChI=1S/C8H11ClO3/c1-2-12-8(11)6(9)7(10)5-3-4-5/h5-6H,2-4H2,1H3 |
| InChI Key | QSHKICZTKZLOHX-UHFFFAOYSA-N |
| MDL Number | MFCD20637893 |
| Molecular Formula | C8H11ClO3 |
| Molecular Weight | 190.6241 |
| SMILES | ClC(C(=O)OCC)C(=O)C1CC1 |
| Synonyms | SCHEMBL3833546,
QSHKICZTKZLOHX-UHFFFAOYSA-N,
DB-101041,
ethyl 2-chloro-3-cyclopropyl-3-oxopropanoate,
1033707-26-4,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.039672g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.62g/mol |
| Monoisotopic Mass | 190.039672g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number