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Home Other Building Blocks (2S)-2-(3-benzoylphenyl)propanoic acid

(2S)-2-(3-benzoylphenyl)propanoic acid

CAS No.:
22161-81-5
Catalog Number:
AG003CKB
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$24
- +
5g
98%
In Stock USA
United States
$62
- +
10g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$172
- +
100g
98%
In Stock USA
United States
$399
- +
Product Description
Catalog Number:
AG003CKB
Chemical Name:
(2S)-2-(3-benzoylphenyl)propanoic acid
CAS Number:
22161-81-5
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
MDL Number:
MFCD00673316
IUPAC Name:
(2S)-2-(3-benzoylphenyl)propanoic acid
InChI:
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChI Key:
DKYWVDODHFEZIM-NSHDSACASA-N
SMILES:
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
EC Number:
606-944-5
UNII:
6KD9E78X68
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Structure-activity relationships and cancer-cell selective toxicity of novel inhibitors of glioma-associated oncogene homologue 1 (Gli1) mediated transcription. Journal of medicinal chemistry 20090723
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors. Journal of medicinal chemistry 20050630
Properties