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116680-98-9 | 5-(4-iodophenyl)pentanoic acid
CAS No: 116680-98-9 Catalog No: AG01A9HL MDL No:MFCD11188214
Product Description
Catalog Number:
AG01A9HL
Chemical Name:
5-(4-iodophenyl)pentanoic acid
CAS Number:
116680-98-9
Molecular Formula:
C11H13IO2
Molecular Weight:
304.1242
MDL Number:
MFCD11188214
IUPAC Name:
5-(4-iodophenyl)pentanoic acid
InChI:
InChI=1S/C11H13IO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChI Key:
AVVFIQYGBUOFDN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(cc1)I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.127g/mol
Monoisotopic Mass:
303.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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