methyl 2-cyclohexyl-2-oxoacetate - CAS 62783-63-5
Catalog: |
BB031795 |
Product Name: |
methyl 2-cyclohexyl-2-oxoacetate |
CAS: |
62783-63-5 |
Synonyms: |
2-cyclohexyl-2-oxoacetic acid methyl ester; methyl 2-cyclohexyl-2-oxoacetate |
IUPAC Name: | methyl 2-cyclohexyl-2-oxoacetate |
Description: | methyl 2-cyclohexyl-2-oxoacetate (CAS# 62783-63-5 ) is a useful research chemical. |
Molecular Weight: | 170.208 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | COC(=O)C(=O)C1CCCCC1 |
InChI: | InChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
InChI Key: | GLBPQIPSSQUXNZ-UHFFFAOYSA-N |
LogP: | 1.30880 |
Publication Number | Title | Priority Date |
EP-2794566-A1 | Pipecolate-diketoamides for treatment of psychiatric disorders | 20111222 |
US-2015018340-A1 | Pipecolate-diketoamides for treatment of psychiatric disorders | 20111222 |
WO-2013091900-A1 | Pipecolate-diketoamides for treatment of psychiatric disorders | 20111222 |
CN-103080064-A | Process for producing carboxylic acid ester | 20100826 |
EP-2609067-A1 | Process for producing carboxylic acid ester | 20100826 |
Complexity: | 180 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Cyclohexane
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