Home Other Building Blocks 3-[2-(BENZOYLOXY)PHENYL]PROPIONIC ACID

3-[2-(BENZOYLOXY)PHENYL]PROPIONIC ACID

CAS No.:
59725-59-6
Catalog Number:
AG003IRT
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
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Product Description
Catalog Number:
AG003IRT
Chemical Name:
3-[2-(BENZOYLOXY)PHENYL]PROPIONIC ACID
CAS Number:
59725-59-6
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00052018
IUPAC Name:
3-(2-benzoyloxyphenyl)propanoic acid
InChI:
InChI=1S/C16H14O4/c17-15(18)11-10-12-6-4-5-9-14(12)20-16(19)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18)
InChI Key:
WZLUNIRPOQOEJR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1OC(=O)c1ccccc1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
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
Properties