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Home Carboxys 7-methoxy-1-benzofuran-3-carboxylic acid

7-methoxy-1-benzofuran-3-carboxylic acid

CAS No.:
344287-58-7
Catalog Number:
AG01BXKK
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
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Product Description
Catalog Number:
AG01BXKK
Chemical Name:
7-methoxy-1-benzofuran-3-carboxylic acid
CAS Number:
344287-58-7
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD21281647
IUPAC Name:
7-methoxy-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C10H8O4/c1-13-8-4-2-3-6-7(10(11)12)5-14-9(6)8/h2-5H,1H3,(H,11,12)
InChI Key:
LBIXZQALKDMTIT-UHFFFAOYSA-N
SMILES:
COc1cccc2c1occ2C(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Regiospecific and stereoselective syntheses of (+/-) morphine, codeine, and thebaine via a highly stereocontrolled intramolecular 4 + 2 cycloaddition leading to a phenanthrofuran system. Journal of the American Chemical Society 20090819
Properties