| CAS Number | 64507-20-6 |
| Catalog Number | AG00H6F1(AGN-PC-00OBF1) |
| Chemical Name | Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester |
| IUPAC Name | methyl 3-chloro-2,2-dimethyl-3-oxopropanoate |
| InChI | InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3 |
| InChI Key | YHZPQWZDBDVTIT-UHFFFAOYSA-N |
| MDL Number | MFCD28517441 |
| Molecular Formula | C6H9ClO3 |
| Molecular Weight | 164.5869 |
| SMILES | O=C(C(C(=O)Cl)(C)C)OC |
| Synonyms | Methyl 3-chloro-2,2-dimethyl-3-oxopropanoate,
64507-20-6,
Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester,
CTK2A5572,
DTXSID00551820,
N/A,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.585g/mol |
| Monoisotopic Mass | 164.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number