| CAS Number | 27513-35-5 |
| Catalog Number | AG00C2DM(AGN-PC-005BG0) |
| Chemical Name | Ethyl 3,5-Dioxocyclohexanecarboxylate |
| IUPAC Name | ethyl 3,5-dioxocyclohexane-1-carboxylate |
| InChI | InChI=1S/C9H12O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h6H,2-5H2,1H3 |
| InChI Key | RPRRICYOWFRORO-UHFFFAOYSA-N |
| MDL Number | MFCD28127236 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | O=C1CC(CC(C1)=O)C(=O)OCC |
| Synonyms | ethyl 3,5-dioxocyclohexanecarboxylate,
27513-35-5,
Ethyl 3,5-dioxocyclohexane-1-carboxylate,
SCHEMBL6903800,
RPRRICYOWFRORO-UHFFFAOYSA-N,
ZINC102212965,
FCH2693724,
SB12303,
AX8271877,
3,5-Dioxocyclohexanecarboxylic Acid Ethyl Ester,
CID11252382,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number