| CAS Number | 32249-37-9 |
| Catalog Number | AG01B8WL(AGN-PC-0R7MHC) |
| Chemical Name | Ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate |
| InChI | InChI=1S/C9H14O3/c1-3-12-8(11)6-7(10)9(2)4-5-9/h3-6H2,1-2H3 |
| InChI Key | IWHYFYBVTHEJLL-UHFFFAOYSA-N |
| MDL Number | MFCD23870411 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | CCOC(CC(C1(CC1)C)=O)=O |
| Synonyms | ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate,
32249-37-9,
Ethyl 3-(1-methylcycloprop-1-yl)-3-oxopropionate,
SCHEMBL4414359,
IWHYFYBVTHEJLL-UHFFFAOYSA-N,
ZINC34540399,
AKOS018865209,
ethyl (1-methylcyclopropanecarbonyl)acetate,
Z2004564012,
CID10866760,
Ethyl 3-(1-methylcyclopropyl)-3-oxo-propanoate,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number