Home Carboxys 3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

CAS No.:
734546-74-8
Catalog Number:
AG00ICEG
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
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Product Description
Catalog Number:
AG00ICEG
Chemical Name:
3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CAS Number:
734546-74-8
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD04613029
IUPAC Name:
3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C11H10O4/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
JBBVMFGRVHQEBV-UHFFFAOYSA-N
SMILES:
COCc1c(oc2c1cccc2)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties