Home Other Building Blocks 3-Benzoylpropionic acid

3-Benzoylpropionic acid

CAS No.:
2051-95-8
Catalog Number:
AG0029UQ
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$15
- +
25g
97%
In Stock USA
United States
$44
- +
100g
97%
In Stock USA
United States
$118
- +
500g
97%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG0029UQ
Chemical Name:
3-Benzoylpropionic acid
CAS Number:
2051-95-8
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00002792
IUPAC Name:
4-oxo-4-phenylbutanoic acid
InChI:
InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChI Key:
KMQLIDDEQAJAGJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC(=O)O
EC Number:
218-135-0
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Benzoylphosphonate-based photoactive phosphopeptide mimetics for modulation of protein tyrosine phosphatases and highly specific labeling of SH2 domains. Angewandte Chemie (International ed. in English) 20120910
Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay. ACS chemical biology 20120316
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). Bioorganic & medicinal chemistry 20081201
Synthesis and activity of a new series of (Z)-3-phenyl-2-benzoylpropenoic acid derivatives as aldose reductase inhibitors. Molecules (Basel, Switzerland) 20070430
Reactions of 3-formylchromone with active methylene and methyl compounds and some subsequent reactions of the resulting condensation products. Molecules (Basel, Switzerland) 20050831
Hydrophobically directed selective reduction of ketones. Journal of the American Chemical Society 20031022
Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in tiaprofenic acid/ketoprofen cross-photoreactivity. Chemical research in toxicology 20011101
Inhibition of cap (m7GpppXm)-dependent endonuclease of influenza virus by 4-substituted 2,4-dioxobutanoic acid compounds. Antimicrobial agents and chemotherapy 19941201
Properties