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Home Aminos 4-((2-methoxyphenyl)amino)benzoic acid

4-((2-methoxyphenyl)amino)benzoic acid

CAS No.:
1275482-57-9
Catalog Number:
AG01BRI4
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
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Product Description
Catalog Number:
AG01BRI4
Chemical Name:
4-((2-methoxyphenyl)amino)benzoic acid
CAS Number:
1275482-57-9
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD17315878
IUPAC Name:
4-(2-methoxyanilino)benzoic acid
InChI:
InChI=1S/C14H13NO3/c1-18-13-5-3-2-4-12(13)15-11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
QVPCGPXETWLTDU-UHFFFAOYSA-N
SMILES:
COc1ccccc1Nc1ccc(cc1)C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships. Journal of medicinal chemistry 20120308
Properties