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89149-29-1 | 1-Octyn-3-one, 1-iodo-
CAS No: 89149-29-1 Catalog No: AG003WTA MDL No:
Product Description
Catalog Number:
AG003WTA
Chemical Name:
1-Octyn-3-one, 1-iodo-
CAS Number:
89149-29-1
Molecular Formula:
C8H11IO
Molecular Weight:
250.0768
IUPAC Name:
1-iodooct-1-yn-3-one
InChI:
InChI=1S/C8H11IO/c1-2-3-4-5-8(10)6-7-9/h2-5H2,1H3
InChI Key:
AHOFZTHFGSJYRH-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C#CI
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.985g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.079g/mol
Monoisotopic Mass:
249.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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