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110328-09-1 | Octanoic acid, 4-iodo-
CAS No: 110328-09-1 Catalog No: AG0083ZC MDL No:
Product Description
Catalog Number:
AG0083ZC
Chemical Name:
Octanoic acid, 4-iodo-
CAS Number:
110328-09-1
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
4-iodooctanoic acid
InChI:
InChI=1S/C8H15IO2/c1-2-3-4-7(9)5-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
IILLMHZZILJWLE-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(=O)O)I
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.11g/mol
Monoisotopic Mass:
270.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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