| CAS Number | 93633-32-0 |
| Catalog Number | AG006ETB(AGN-PC-02U3P4) |
| Chemical Name | 5-methoxy-2-methylidene-5-oxopentanoic acid |
| IUPAC Name | 5-methoxy-2-methylidene-5-oxopentanoate |
| InChI | InChI=1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10)/p-1 |
| InChI Key | OKHGTVXZDNDAGT-UHFFFAOYSA-M |
| MDL Number | MFCD20638960 |
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.1519 |
| SMILES | COC(CCC(C(O)=O)=C)=O |
| Synonyms | Pentanedioic acid, 2-methylene-, 5-methyl ester,
93633-32-0,
ACMC-20lxvq,
CTK3G9538,
DTXSID70606775,
5-Methoxy-2-methylidene-5-oxopentanoate,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.05g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.145g/mol |
| Monoisotopic Mass | 157.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number