Methyl 2-(3-Oxocyclohexyl)acetate - CAS 2808-12-0
Catalog: |
BB019765 |
Product Name: |
Methyl 2-(3-Oxocyclohexyl)acetate |
CAS: |
2808-12-0 |
Synonyms: |
2-(3-oxocyclohexyl)acetic acid methyl ester; methyl 2-(3-oxocyclohexyl)acetate |
IUPAC Name: | methyl 2-(3-oxocyclohexyl)acetate |
Description: | Methyl 2-(3-Oxocyclohexyl)acetate (CAS# 2808-12-0) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | COC(=O)CC1CCCC(=O)C1 |
InChI: | InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3 |
InChI Key: | XLWYQNLUACCYOT-UHFFFAOYSA-N |
LogP: | 1.30880 |
Publication Number | Title | Priority Date |
AU-2008285729-A1 | Benzoyl-piperidine derivatives as dual modulators of the 5-HT2a and D3 receptors | 20070809 |
AU-2008285729-B2 | Benzoyl-piperidine derivatives as dual modulators of the 5-HT2a and D3 receptors | 20070809 |
CA-2694057-A1 | Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors | 20070809 |
EP-2185513-A1 | Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors | 20070809 |
EP-2185513-B1 | Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors | 20070809 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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