| CAS Number | 192516-46-4 |
| Catalog Number | AG019EWC(AGN-PC-0QLBJQ) |
| Chemical Name | 4-tert-butyl 1-methyl 2-(2-chloroprop-2-en-1-yl)butanedioate |
| IUPAC Name | 4-O-tert-butyl 1-O-methyl 2-(2-chloroprop-2-enyl)butanedioate |
| InChI | InChI=1S/C12H19ClO4/c1-8(13)6-9(11(15)16-5)7-10(14)17-12(2,3)4/h9H,1,6-7H2,2-5H3 |
| InChI Key | GNPGZKBBPAFOBD-UHFFFAOYSA-N |
| MDL Number | MFCD30472087 |
| Molecular Formula | C12H19ClO4 |
| Molecular Weight | 262.7299 |
| SMILES | COC(=O)C(CC(Cl)=C)CC(=O)OC(C)(C)C |
| Synonyms | 4-TERT-BUTYL 1-METHYL 2-(2-CHLOROALLYL)SUCCINATE,
192516-46-4,
SCHEMBL8204183,
GNPGZKBBPAFOBD-UHFFFAOYSA-N,
MFCD30472087,
CS-0035720,
4-t-Butyl 1-methyl 2-(2-chloroallyl)succinate,
4-(tert-Butyl) 1-methyl 2-(2-chloroallyl)succinate,
2(R,S)-(2-Chloro-2-propenyl)-1,4-butanedioic Acid 4-(1,1-Dimethylethyl) 1-Methyl Ester,
CID10858299,
Methyl Tert-butyl 2-(2-chloroprop-2-enyl)butanedioate,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.73g/mol |
| Monoisotopic Mass | 262.097g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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