| CAS Number | 80269-67-6 |
| Catalog Number | AG00G633(AGN-PC-00NYO5) |
| Chemical Name | Trimethyl 4-oxocyclohexane-1,1,3-tricarboxylate |
| IUPAC Name | trimethyl 4-oxocyclohexane-1,1,3-tricarboxylate |
| InChI | InChI=1S/C12H16O7/c1-17-9(14)7-6-12(10(15)18-2,11(16)19-3)5-4-8(7)13/h7H,4-6H2,1-3H3 |
| InChI Key | VNMXZSWOKNCHAM-UHFFFAOYSA-N |
| MDL Number | MFCD00069070 |
| Molecular Formula | C12H16O7 |
| Molecular Weight | 272.2512 |
| SMILES | COC(C1C(=O)CCC(C(OC)=O)(C(OC)=O)C1)=O |
| Synonyms | trimethyl 4-oxocyclohexane-1,1,3-tricarboxylate,
80269-67-6,
CYC024,
SCHEMBL8988309,
DTXSID30549331,
VNMXZSWOKNCHAM-UHFFFAOYSA-N,
MFCD00069070,
AKOS005067522,
FT-0723207,
1,1,3-Cyclohexanetricarboxylic acid, 4-oxo-, trimethylester,
4-oxo-, trimethylester,
4-oxo-,trimethyl ester,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.253g/mol |
| Monoisotopic Mass | 272.09g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number