| CAS Number | 3725-40-4 |
| Catalog Number | AG01E8HB(AGN-PC-0NFSRS) |
| Chemical Name | Ethyl cyclohexa-1,3-diene-1-carboxylate |
| IUPAC Name | ethyl cyclohexa-1,3-diene-1-carboxylate |
| InChI | InChI=1S/C9H12O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,6H,2,5,7H2,1H3 |
| InChI Key | CWXMXSNBCWFLOY-UHFFFAOYSA-N |
| MDL Number | MFCD00052374 |
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.1904 |
| SMILES | CCOC(C1CCC=CC=1)=O |
| Synonyms | Ethyl Cyclohexa-1,3-diene-1-carboxylate,
3725-40-4,
ethyl 1,3-cyclohexadiene-1-carboxylate,
1,3-Cyclohexadiene-1-carboxylic acid, ethyl ester,
SCHEMBL5187673,
CTK1B5779,
DTXSID00454928,
CWXMXSNBCWFLOY-UHFFFAOYSA-N,
1,3-Cyclohexadiene-1-carboxylic acid ethyl ester,
CID11094816,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.193g/mol |
| Monoisotopic Mass | 152.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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