| CAS Number | 22396-14-1 |
| Catalog Number | AG01A4B5(AGN-PC-0QZ0SF) |
| Chemical Name | Ethyl 2-cyclopropyl-3-oxobutanoate |
| IUPAC Name | ethyl 2-cyclopropyl-3-oxobutanoate |
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)8(6(2)10)7-4-5-7/h7-8H,3-5H2,1-2H3 |
| InChI Key | AWQFDRSQMHGUKB-UHFFFAOYSA-N |
| MDL Number | MFCD24691663 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | CC(C(C1CC1)C(OCC)=O)=O |
| Synonyms | ethyl 2-cyclopropyl-3-oxobutanoate,
22396-14-1,
2-cyclopropyl-3-oxobutyric acid ethyl ester,
SCHEMBL3385655,
AWQFDRSQMHGUKB-UHFFFAOYSA-N,
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| Complexity | 194 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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