5-Phenyllevulinic Acid - CAS 3183-15-1
Catalog: |
BB056748 |
Product Name: |
5-Phenyllevulinic Acid |
CAS: |
3183-15-1 |
Synonyms: |
5-Phenyl-levulinic Acid; γ-Oxobenzenepentanoic Acid; 4-Oxo-5-phenylpentanoic Acid; 5-Phenyl-4-oxopentanoic Acid |
IUPAC Name: | 4-oxo-5-phenylpentanoic acid |
Description: | 5-Phenyllevulinic Acid is useful reagent for preparing formyl peptide receptors agonists. Formyl peptide receptors are involved with the regulation of endogenous inflammation and immunity. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)CCC(=O)O |
InChI: | InChI=1S/C11H12O3/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14) |
InChI Key: | LTNSOYZGFPWHOF-UHFFFAOYSA-N |
References: | Giovannoni, M. P., et al. Eur. J. Med. Chem. 64, 512 (2013); Rezzola, S., et al. Diabetologia. 60, 719 (2017). |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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