| CAS Number | 59916-75-5 |
| Catalog Number | AG00ELVB(AGN-PC-0OCZXX) |
| Chemical Name | Diethyl 2-isopropyl-3-oxosuccinate |
| IUPAC Name | diethyl 2-oxo-3-propan-2-ylbutanedioate |
| InChI | InChI=1S/C11H18O5/c1-5-15-10(13)8(7(3)4)9(12)11(14)16-6-2/h7-8H,5-6H2,1-4H3 |
| InChI Key | MWPWTEHAHKQULO-UHFFFAOYSA-N |
| MDL Number | MFCD00511085 |
| Molecular Formula | C11H18O5 |
| Molecular Weight | 230.2576 |
| SMILES | CCOC(=O)C(C(C)C)C(=O)C(=O)OCC |
| Synonyms | Diethyl 2-isopropyl-3-oxosuccinate,
59916-75-5,
AK156473,
2-isopropyl-3-oxo-succinic acid diethyl ester,
KS-00000SEO,
MFCD00511085,
ACN-036355,
AX8290740,
2-Isopropyl-3-oxosuccinic acid diethyl ester,
CS-0061536,
1,4-diethyl 2-oxo-3-(propan-2-yl)butanedioate,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.26g/mol |
| Monoisotopic Mass | 230.115g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H227-H315-H319-H335
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number