| CAS Number | 37051-55-1 |
| Catalog Number | AG01B65D(AGN-PC-00AC42) |
| Chemical Name | Methyl 5-oxocyclohex-3-ene-1-carboxylate |
| IUPAC Name | methyl 5-oxocyclohex-3-ene-1-carboxylate |
| InChI | InChI=1S/C8H10O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2,4,6H,3,5H2,1H3 |
| InChI Key | AKPIJBFSCOEJSB-UHFFFAOYSA-N |
| MDL Number | MFCD24688552 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | COC(C1CC(=O)C=CC1)=O |
| Synonyms | methyl 5-oxocyclohex-3-ene-1-carboxylate,
37051-55-1,
5-Oxo-3-cyclohexene-1-carboxylic acid methyl ester,
A1-08428,
methyl 5-oxo-3-cyclohexene-1-carboxylate,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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