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116784-49-7 | 9-Octadecenoic acid, 12-iodo-, (9Z)-
CAS No: 116784-49-7 Catalog No: AG000D88 MDL No:
Product Description
Catalog Number:
AG000D88
Chemical Name:
9-Octadecenoic acid, 12-iodo-, (9Z)-
CAS Number:
116784-49-7
Molecular Formula:
C18H33IO2
Molecular Weight:
408.3579
IUPAC Name:
12-iodooctadec-9-enoic acid
InChI:
InChI=1S/C18H33IO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,20,21)
InChI Key:
BCBNYUPICLDNOU-UHFFFAOYSA-N
SMILES:
CCCCCCC(C/C=C\CCCCCCCC(=O)O)I
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.364g/mol
Monoisotopic Mass:
408.153g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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