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898790-71-1 | 6-(2-IODOPHENYL)-6-OXOHEXANOIC ACID
CAS No: 898790-71-1 Catalog No: AG00GZI1 MDL No:
Product Description
Catalog Number:
AG00GZI1
Chemical Name:
6-(2-IODOPHENYL)-6-OXOHEXANOIC ACID
CAS Number:
898790-71-1
IUPAC Name:
6-(2-iodophenyl)-6-oxohexanoic acid
InChI:
InChI=1S/C12H13IO3/c13-10-6-2-1-5-9(10)11(14)7-3-4-8-12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChI Key:
UJVVKJITTRJRDR-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.137g/mol
Monoisotopic Mass:
331.991g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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