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Ethyl 5-hydroxy-2-methylbenzofuran-3-carboxylate

CAS No.:
7287-40-3
Catalog Number:
AG005E4U
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG005E4U
Chemical Name:
Ethyl 5-hydroxy-2-methylbenzofuran-3-carboxylate
CAS Number:
7287-40-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD00023001
IUPAC Name:
ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
InChI:
InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3
InChI Key:
KSNVFCJUBJUTPF-UHFFFAOYSA-N
SMILES:
Cc1oc2c(c1C(=O)OCC)cc(cc2)O
EC Number:
230-713-4
NSC Number:
42354
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis, discovery and preliminary SAR study of benzofuran derivatives as angiogenesis inhibitors. Bioorganic & medicinal chemistry letters 20090401
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