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827573-96-6 | Piperidine, 1-(5-iodo-4,4-dimethyl-1-oxo-2-pentenyl)-
CAS No: 827573-96-6 Catalog No: AG004UTZ MDL No:
Product Description
Catalog Number:
AG004UTZ
Chemical Name:
Piperidine, 1-(5-iodo-4,4-dimethyl-1-oxo-2-pentenyl)-
CAS Number:
827573-96-6
Molecular Formula:
C12H20INO
Molecular Weight:
321.1978
IUPAC Name:
5-iodo-4,4-dimethyl-1-piperidin-1-ylpent-2-en-1-one
InChI:
InChI=1S/C12H20INO/c1-12(2,10-13)7-6-11(15)14-8-4-3-5-9-14/h6-7H,3-5,8-10H2,1-2H3
InChI Key:
YTFZFMREYHFZAQ-UHFFFAOYSA-N
SMILES:
ICC(C=CC(=O)N1CCCCC1)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.202g/mol
Monoisotopic Mass:
321.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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