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825611-31-2 | 2-Piperidinone, 3-(6-iodo-4,4-dimethylhexylidene)-, (3E)-
CAS No: 825611-31-2 Catalog No: AG00543R MDL No:
Product Description
Catalog Number:
AG00543R
Chemical Name:
2-Piperidinone, 3-(6-iodo-4,4-dimethylhexylidene)-, (3E)-
CAS Number:
825611-31-2
Molecular Formula:
C13H22INO
Molecular Weight:
335.2244
IUPAC Name:
3-(6-iodo-4,4-dimethylhexylidene)piperidin-2-one
InChI:
InChI=1S/C13H22INO/c1-13(2,8-9-14)7-3-5-11-6-4-10-15-12(11)16/h5H,3-4,6-10H2,1-2H3,(H,15,16)
InChI Key:
YCLDLWNVCCXEOO-UHFFFAOYSA-N
SMILES:
ICCC(CC/C=C/1\CCCNC1=O)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.229g/mol
Monoisotopic Mass:
335.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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