Methyl (E)-3-Cyclopentylprop-2-enoate - CAS 136823-41-1
Catalog: |
BB076235 |
Product Name: |
Methyl (E)-3-Cyclopentylprop-2-enoate |
CAS: |
136823-41-1 |
Synonyms: |
Methyl (2E)-3-Cyclopentyl-2-propenoate; (E)-3-Cyclopentyl-,2-propenoic Acid Methyl Ester; (2E)-(E)-3-Cyclopentyl-,2-propenoic Acid Methyl Ester |
IUPAC Name: | methyl (E)-3-cyclopentylprop-2-enoate |
Description: | methyl (E)-3-cyclopentylprop-2-enoate (cas# 136823-41-1) is a useful research chemical. It is used in the preparation of azepanes, azocanes and related compounds as GPR43 modulators useful in the treatment of inflammatory, gastrointestinal and metabolic disorders. |
Molecular Weight: | 154.2 |
Molecular Formula: | C9H14O2 |
Canonical SMILES: | COC(=O)C=CC1CCCC1 |
InChI: | InChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+ |
InChI Key: | DKBNVGOWHNOALZ-VOTSOKGWSA-N |
References: | Hoveyda, H., et al. PCT Int. Appl. (2011), WO 2011151436 A2 20111208. |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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