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872052-84-1 | 2-Furancarboxylic acid,5-[2-(methoxycarbonyl)phenyl]-
CAS No: 872052-84-1 Catalog No: AG004JY5 MDL No:
Product Description
Catalog Number:
AG004JY5
Chemical Name:
2-Furancarboxylic acid,5-[2-(methoxycarbonyl)phenyl]-
CAS Number:
872052-84-1
Molecular Formula:
C11H9NO5S
Molecular Weight:
267.2579
IUPAC Name:
5-(2-sulfamoylphenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C11H9NO5S/c12-18(15,16)10-4-2-1-3-7(10)8-5-6-9(17-8)11(13)14/h1-6H,(H,13,14)(H2,12,15,16)
InChI Key:
KRNQVKVOLIMYIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1ccccc1S(=O)(=O)N
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.255g/mol
Monoisotopic Mass:
267.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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