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3611-60-7 | Succinic acid hydrogen 1-[α-(2-benzofuranyl)-p-iodobenzyl] ester
CAS No: 3611-60-7 Catalog No: AG00CZPE MDL No:
Product Description
Catalog Number:
AG00CZPE
Chemical Name:
Succinic acid hydrogen 1-[α-(2-benzofuranyl)-p-iodobenzyl] ester
CAS Number:
3611-60-7
IUPAC Name:
4-[1-benzofuran-2-yl-(4-iodophenyl)methoxy]-4-oxobutanoic acid
InChI:
InChI=1S/C19H15IO5/c20-14-7-5-12(6-8-14)19(25-18(23)10-9-17(21)22)16-11-13-3-1-2-4-15(13)24-16/h1-8,11,19H,9-10H2,(H,21,22)
InChI Key:
IZTCHMIPVLWNIJ-UHFFFAOYSA-N
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.996g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.228g/mol
Monoisotopic Mass:
449.996g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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