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851527-37-2 | 2-[2-(4-Iodo-phenyl)-2-oxo-ethyl]-malonic acid
CAS No: 851527-37-2 Catalog No: AG00G92I MDL No:
Product Description
Catalog Number:
AG00G92I
Chemical Name:
2-[2-(4-Iodo-phenyl)-2-oxo-ethyl]-malonic acid
CAS Number:
851527-37-2
IUPAC Name:
2-[2-(4-iodophenyl)-2-oxoethyl]propanedioic acid
InChI:
InChI=1S/C11H9IO5/c12-7-3-1-6(2-4-7)9(13)5-8(10(14)15)11(16)17/h1-4,8H,5H2,(H,14,15)(H,16,17)
InChI Key:
YQLMEQFXTOIZJH-UHFFFAOYSA-N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.949g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.092g/mol
Monoisotopic Mass:
347.949g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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