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1342541-18-7 | 5-(4-iodophenyl)-3-methylpentanoic acid
CAS No: 1342541-18-7 Catalog No: AG01C4YJ MDL No:MFCD17253975
Product Description
Catalog Number:
AG01C4YJ
Chemical Name:
5-(4-iodophenyl)-3-methylpentanoic acid
CAS Number:
1342541-18-7
Molecular Formula:
C12H15IO2
Molecular Weight:
318.1508
MDL Number:
MFCD17253975
IUPAC Name:
5-(4-iodophenyl)-3-methylpentanoic acid
InChI:
InChI=1S/C12H15IO2/c1-9(8-12(14)15)2-3-10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChI Key:
WBZDAODJVGVYLV-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)CCc1ccc(cc1)I
Properties
Complexity:
198
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:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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