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68034-75-3 | 3-(3-Iodophenyl)propanoic acid
CAS No: 68034-75-3 Catalog No: AG0038HT MDL No:MFCD03425691
Product Description
Catalog Number:
AG0038HT
Chemical Name:
3-(3-Iodophenyl)propanoic acid
CAS Number:
68034-75-3
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD03425691
IUPAC Name:
3-(3-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H9IO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
GGLXNAUNBQJVTF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)I
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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