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104855-14-3 | Octadecanoic acid,10-iodo-
CAS No: 104855-14-3 Catalog No: AG007XBW MDL No:
Product Description
Catalog Number:
AG007XBW
Chemical Name:
Octadecanoic acid,10-iodo-
CAS Number:
104855-14-3
Molecular Formula:
C18H35IO2
Molecular Weight:
410.3738
IUPAC Name:
10-iodooctadecanoic acid
InChI:
InChI=1S/C18H35IO2/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChI Key:
OJVDNWWRBOTQHQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CCCCCCCCC(=O)O)I
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.38g/mol
Monoisotopic Mass:
410.168g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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