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827033-89-6 | 7,9-Octadecadien-11-yne, 9-hexyl-7-iodo-, (7Z,9Z)-
CAS No: 827033-89-6 Catalog No: AG0050VE MDL No:
Product Description
Catalog Number:
AG0050VE
Chemical Name:
7,9-Octadecadien-11-yne, 9-hexyl-7-iodo-, (7Z,9Z)-
CAS Number:
827033-89-6
Molecular Formula:
C24H41I
Molecular Weight:
456.4868
IUPAC Name:
9-hexyl-7-iodooctadeca-7,9-dien-11-yne
InChI:
InChI=1S/C24H41I/c1-4-7-10-13-14-15-17-20-23(19-16-11-8-5-2)22-24(25)21-18-12-9-6-3/h20,22H,4-14,16,18-19,21H2,1-3H3
InChI Key:
UZNIRCVKPKAFSN-UHFFFAOYSA-N
SMILES:
CCCCCCC#C/C=C(\C=C(\CCCCCC)/I)/CCCCCC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.496g/mol
Monoisotopic Mass:
456.225g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
12
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