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94274-78-9 | Pentanoic acid, 2-iodo-
CAS No: 94274-78-9 Catalog No: AG005ZKM MDL No:
Product Description
Catalog Number:
AG005ZKM
Chemical Name:
Pentanoic acid, 2-iodo-
CAS Number:
94274-78-9
Molecular Formula:
C5H9IO2
Molecular Weight:
228.0282
IUPAC Name:
2-iodopentanoic acid
InChI:
InChI=1S/C5H9IO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
MEZFCJJZKJRFJF-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)I
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.029g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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