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Home > Pyridines > 727418-72-6
727418-72-6 | 2H-Azepin-2-one, 1-ethenylhexahydro-3-(3-pyridinylcarbonyl)-
CAS No: 727418-72-6 Catalog No: AG00ICB0 MDL No:
Product Description
Catalog Number:
AG00ICB0
Chemical Name:
2H-Azepin-2-one, 1-ethenylhexahydro-3-(3-pyridinylcarbonyl)-
CAS Number:
727418-72-6
IUPAC Name:
1-ethenyl-3-(pyridine-3-carbonyl)azepan-2-one
InChI:
InChI=1S/C14H16N2O2/c1-2-16-9-4-3-7-12(14(16)18)13(17)11-6-5-8-15-10-11/h2,5-6,8,10,12H,1,3-4,7,9H2
InChI Key:
VEXBMZNDUMZNBA-UHFFFAOYSA-N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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