| CAS Number | 130611-26-6 |
| Catalog Number | AG01BIXD(AGN-PC-0KKNBI) |
| Chemical Name | ethyl 4-(2-methoxyethoxy)-3-oxobutanoate |
| EC Number | 603-429-7 |
| IUPAC Name | ethyl 4-(2-methoxyethoxy)-3-oxobutanoate |
| InChI | InChI=1S/C9H16O5/c1-3-14-9(11)6-8(10)7-13-5-4-12-2/h3-7H2,1-2H3 |
| InChI Key | SYFJNNYHOIAJFL-UHFFFAOYSA-N |
| MDL Number | MFCD05864396 |
| Molecular Formula | C9H16O5 |
| Molecular Weight | 204.2203 |
| SMILES | CCOC(CC(COCCOC)=O)=O |
| Synonyms | ethyl 4-(2-methoxyethoxy)-3-oxobutanoate,
130611-26-6,
ethyl 4-(2-methoxyethoxy)acetoacetate,
AC1MC0PS,
SCHEMBL3281103,
CTK7B3833,
SYFJNNYHOIAJFL-UHFFFAOYSA-N,
ZINC2559574,
AKOS013211674,
4-(2-Methoxy-ethoxy)-3-oxo-butyric acid ethyl ester,
Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester,
4-(2-METHOXY-ETHOXY)-3-OXO-BUTYRIC ACID ETHYLESTER,
ZINC02559574,
CID2759572,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.222g/mol |
| Monoisotopic Mass | 204.1g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number