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Home Other Building Blocks 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid

3-ethoxy-4-(2-phenoxyethoxy)benzoic acid

CAS No.:
571156-08-6
Catalog Number:
AG019IBL
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
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Product Description
Catalog Number:
AG019IBL
Chemical Name:
3-ethoxy-4-(2-phenoxyethoxy)benzoic acid
CAS Number:
571156-08-6
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
MDL Number:
MFCD03988230
IUPAC Name:
3-ethoxy-4-(2-phenoxyethoxy)benzoic acid
InChI:
InChI=1S/C17H18O5/c1-2-20-16-12-13(17(18)19)8-9-15(16)22-11-10-21-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19)
InChI Key:
WODYIEDJGMSCBV-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCCOc1ccccc1)C(=O)O
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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