Home Carboxys 2-Benzofurancarboxylicacid,5-ethoxy-3-methyl-(9CI)

2-Benzofurancarboxylicacid,5-ethoxy-3-methyl-(9CI)

CAS No.:
568558-22-5
Catalog Number:
AG00EOBE
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG00EOBE
Chemical Name:
2-Benzofurancarboxylicacid,5-ethoxy-3-methyl-(9CI)
CAS Number:
568558-22-5
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD03985193
IUPAC Name:
5-ethoxy-3-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-3-15-8-4-5-10-9(6-8)7(2)11(16-10)12(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChI Key:
SYABQXBVFVPRJY-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(C)c(o2)C(=O)O
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:
2.9  
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