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89588-89-6 | Octanoic acid, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 89588-89-6 Catalog No: AG003XE9 MDL No:
Product Description
Catalog Number:
AG003XE9
Chemical Name:
Octanoic acid, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
89588-89-6
Molecular Formula:
C13H21IO3
Molecular Weight:
352.2085
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl octanoate
InChI:
InChI=1S/C13H21IO3/c1-2-3-4-5-6-8-13(15)17-12-11-16-10-7-9-14/h2-6,8,10-12H2,1H3
InChI Key:
QDKDZKPKVSKZPC-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCOCC#CI
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.212g/mol
Monoisotopic Mass:
352.054g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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