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83167-39-9 | 2H-Azepin-2-one, 1,1'-[oxybis(methylene)]bis[hexahydro-
CAS No: 83167-39-9 Catalog No: AG0059NP MDL No:
Product Description
Catalog Number:
AG0059NP
Chemical Name:
2H-Azepin-2-one, 1,1'-[oxybis(methylene)]bis[hexahydro-
CAS Number:
83167-39-9
Molecular Formula:
C14H24N2O3
Molecular Weight:
268.3520
IUPAC Name:
1-[(2-oxoazepan-1-yl)methoxymethyl]azepan-2-one
InChI:
InChI=1S/C14H24N2O3/c17-13-7-3-1-5-9-15(13)11-19-12-16-10-6-2-4-8-14(16)18/h1-12H2
InChI Key:
SFWFTWRCCZLTMO-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1COCN1CCCCCC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.357g/mol
Monoisotopic Mass:
268.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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