CAS 6340-79-0 | 3-(4-Bromobenzoyl)Propionic Acid | CAS Number 6340-79-0

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6340-79-0 | 3-(4-Bromobenzoyl)Propionic Acid

CAS No: 6340-79-0 Catalog No: AG0033GF MDL No:MFCD00016563

Product Description

Catalog Number:

AG0033GF

Chemical Name:

3-(4-Bromobenzoyl)Propionic Acid

CAS Number:

6340-79-0

Molecular Formula:

C10H9BrO3

Molecular Weight:

257.0807

MDL Number:

MFCD00016563

IUPAC Name:

4-(4-bromophenyl)-4-oxobutanoic acid

InChI:

InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChI Key:

ZODFRCZNTXLDDW-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)Br)CCC(=O)O

EC Number:

228-732-8

NSC Number:

51068

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.083g/mol

Monoisotopic Mass:

255.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Synthesis of novel 1,3,4-oxadiazole derivatives and their biological properties.	Acta pharmaceutica (Zagreb, Croatia) 20090601
Novel high-affinity and selective biaromatic 4-substituted gamma-hydroxybutyric acid (GHB) analogues as GHB ligands: design, synthesis, and binding studies.	Journal of medicinal chemistry 20081225