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27913-58-2 | 4-(p-Iodophenyl)butyric acid
CAS No: 27913-58-2 Catalog No: AG003KA2 MDL No:MFCD00063353
Product Description
Catalog Number:
AG003KA2
Chemical Name:
4-(p-Iodophenyl)butyric acid
CAS Number:
27913-58-2
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD00063353
IUPAC Name:
4-(4-iodophenyl)butanoic acid
InChI:
InChI=1S/C10H11IO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key:
OGOMLUBUDYFIOG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc(cc1)I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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