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Home Other Building Blocks 2-(3,4-diethoxybenzoyl)benzoic acid

2-(3,4-diethoxybenzoyl)benzoic acid

CAS No.:
234780-28-0
Catalog Number:
AG019IGA
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
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Product Description
Catalog Number:
AG019IGA
Chemical Name:
2-(3,4-diethoxybenzoyl)benzoic acid
CAS Number:
234780-28-0
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
MDL Number:
MFCD04612891
IUPAC Name:
2-(3,4-diethoxybenzoyl)benzoic acid
InChI:
InChI=1S/C18H18O5/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(19)13-7-5-6-8-14(13)18(20)21/h5-11H,3-4H2,1-2H3,(H,20,21)
InChI Key:
OBLVZWVKNCXJKD-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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