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

Technical Data

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:	54.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1