| CAS Number | 34284-28-1 |
| Catalog Number | AG007GVI(AGN-PC-0R9O09) |
| Chemical Name | sodium (2Z)-4-methoxy-4-oxobut-2-en-2-olate |
| EC Number | 251-918-5 |
| IUPAC Name | sodium;(Z)-4-methoxy-4-oxobut-2-en-2-olate |
| InChI | InChI=1S/C5H8O3.Na/c1-4(6)3-5(7)8-2;/h3,6H,1-2H3;/q;+1/p-1/b4-3-; |
| InChI Key | PZPFXRQPPDCUQY-LNKPDPKZSA-M |
| MDL Number | MFCD00066217 |
| Molecular Formula | C5H7NaO3 |
| Molecular Weight | 138.0970 |
| SMILES | CC(=O)[CH-]C(=O)OC.[Na+] |
| Synonyms | Methyl acetoacetate sodium salt,
34284-28-1,
Sodium methyl acetoacetate,
SCHEMBL5730727,
3-(Sodiooxy)-2-butenoic acid methyl ester,
(Z)-3-(Sodiooxy)-2-butenoic acid methyl ester,
J-019543,
C5H7O3.Na,
C5-H7-O3.Na,
METHYLACETOACETATESODIUMSALT,
EINECS 251-918-5,
Methyl acetoacetate, monosodium salt,
Butanoic acid, 3-oxo-, methyl ester, ion(1-), sodium,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 138.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.098g/mol |
| Monoisotopic Mass | 138.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number