| CAS Number | 118451-60-8 |
| Catalog Number | AG01DTNN(AGN-PC-0NZKZU) |
| Chemical Name | ethyl 4-methylcyclohexa-1,4-diene-1-carboxylate |
| IUPAC Name | ethyl 4-methylcyclohexa-1,4-diene-1-carboxylate |
| InChI | InChI=1S/C10H14O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4,7H,3,5-6H2,1-2H3 |
| InChI Key | NZSBNDPCHBRWSD-UHFFFAOYSA-N |
| MDL Number | MFCD31801662 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CCOC(=O)C1=CCC(C)=CC1 |
| Synonyms | Ethyl 4-methylcyclohexa-1,4-dienecarboxylate,
118451-60-8,
1,4-Cyclohexadiene-1-carboxylic acid, 4-methyl-, ethyl ester,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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