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194146-02-6 | 4-(4-IODOPHENYL)-4-OXOBUTYRIC ACID
CAS No: 194146-02-6 Catalog No: AG0074P4 MDL No:MFCD02260894
Product Description
Catalog Number:
AG0074P4
Chemical Name:
4-(4-IODOPHENYL)-4-OXOBUTYRIC ACID
CAS Number:
194146-02-6
Molecular Formula:
C10H9IO3
Molecular Weight:
304.0811
MDL Number:
MFCD02260894
IUPAC Name:
4-(4-iodophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9IO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
KWWZSFSPTHZIBN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)I)CCC(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.083g/mol
Monoisotopic Mass:
303.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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