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825611-30-1 | 2-Piperidinone, 3-(6-iodohexylidene)-, (3E)-
CAS No: 825611-30-1 Catalog No: AG004YP2 MDL No:
Product Description
Catalog Number:
AG004YP2
Chemical Name:
2-Piperidinone, 3-(6-iodohexylidene)-, (3E)-
CAS Number:
825611-30-1
Molecular Formula:
C11H18INO
Molecular Weight:
307.1712
IUPAC Name:
3-(6-iodohexylidene)piperidin-2-one
InChI:
InChI=1S/C11H18INO/c12-8-4-2-1-3-6-10-7-5-9-13-11(10)14/h6H,1-5,7-9H2,(H,13,14)
InChI Key:
DYQMXIAIFOHQCY-UHFFFAOYSA-N
SMILES:
ICCCCC/C=C/1\CCCNC1=O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.175g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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