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84197-39-7 | Pentanoic acid, 4-iodo-
CAS No: 84197-39-7 Catalog No: AG004YII MDL No:
Product Description
Catalog Number:
AG004YII
Chemical Name:
Pentanoic acid, 4-iodo-
CAS Number:
84197-39-7
Molecular Formula:
C5H9IO2
Molecular Weight:
228.0282
IUPAC Name:
4-iodopentanoic acid
InChI:
InChI=1S/C5H9IO2/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
DEZIAZAXWTVUTN-UHFFFAOYSA-N
SMILES:
CC(CCC(=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:
1.6
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