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406470-50-6 | 5-[(4-iodophenoxy)methyl]-2-furoic acid
CAS No: 406470-50-6 Catalog No: AG00JB74 MDL No:MFCD02090848
Product Description
Catalog Number:
AG00JB74
Chemical Name:
5-[(4-iodophenoxy)methyl]-2-furoic acid
CAS Number:
406470-50-6
Molecular Formula:
C12H9IO4
Molecular Weight:
344.1019
MDL Number:
MFCD02090848
IUPAC Name:
5-[(4-iodophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H9IO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)
InChI Key:
PKQGNEQSBCKQOG-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OCc1ccc(o1)C(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.955g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.104g/mol
Monoisotopic Mass:
343.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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