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42541-97-9 | 1-Octen-3-one, 1-iodo-
CAS No: 42541-97-9 Catalog No: AG0071V8 MDL No:
Product Description
Catalog Number:
AG0071V8
Chemical Name:
1-Octen-3-one, 1-iodo-
CAS Number:
42541-97-9
Molecular Formula:
C8H13IO
Molecular Weight:
252.0927
IUPAC Name:
1-iodooct-1-en-3-one
InChI:
InChI=1S/C8H13IO/c1-2-3-4-5-8(10)6-7-9/h6-7H,2-5H2,1H3
InChI Key:
LRJFQILVAYLBBP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C=CI
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.095g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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