| CAS Number | 38511-09-0 |
| Catalog Number | AG0079BU(AGN-PC-0JP6MU) |
| Chemical Name | 1,1-diethyl cyclohex-3-ene-1,1-dicarboxylate |
| IUPAC Name | diethyl cyclohex-3-ene-1,1-dicarboxylate |
| InChI | InChI=1S/C12H18O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h5-6H,3-4,7-9H2,1-2H3 |
| InChI Key | JGDYSYLLIATOOX-UHFFFAOYSA-N |
| MDL Number | MFCD29060232 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.2689 |
| NSC Number | 137439 |
| SMILES | CCOC(C1(C(OCC)=O)CC=CCC1)=O |
| Synonyms | diethyl cyclohex-3-ene-1,1-dicarboxylate,
38511-09-0,
NSC137439,
AC1L5Y00,
AC1Q648X,
SCHEMBL13755065,
CTK1C5551,
DTXSID00300517,
ZINC1723090,
AKOS030594455,
NSC-137439,
Cyclohexene-4,4-dicarboxylic acid diethyl ester,
cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester,
AR-1I4657,
CID283136,
38824-56-5,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.272g/mol |
| Monoisotopic Mass | 226.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number