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73640-30-9 | Octadecanoic acid, 12-iodo-
CAS No: 73640-30-9 Catalog No: AG005MFL MDL No:
Product Description
Catalog Number:
AG005MFL
Chemical Name:
Octadecanoic acid, 12-iodo-
CAS Number:
73640-30-9
Molecular Formula:
C18H35IO2
Molecular Weight:
410.3738
IUPAC Name:
12-iodooctadecanoic acid
InChI:
InChI=1S/C18H35IO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChI Key:
CWGCJHSOJOAQMH-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(=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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