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256486-41-6 | 6-(4-iodophenyl)hexanoic acid
CAS No: 256486-41-6 Catalog No: AG01A9IW MDL No:MFCD12172608
Product Description
Catalog Number:
AG01A9IW
Chemical Name:
6-(4-iodophenyl)hexanoic acid
CAS Number:
256486-41-6
Molecular Formula:
C12H15IO2
Molecular Weight:
318.1508
MDL Number:
MFCD12172608
IUPAC Name:
6-(4-iodophenyl)hexanoic acid
InChI:
InChI=1S/C12H15IO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15)
InChI Key:
UTWLOJBITUCZTD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCc1ccc(cc1)I
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.154g/mol
Monoisotopic Mass:
318.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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