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16308-48-8 | [2,2'-Bi-2H-azepine]-2,2'-dione, dodecahydro-
CAS No: 16308-48-8 Catalog No: AG001TO5 MDL No:
Product Description
Catalog Number:
AG001TO5
Chemical Name:
[2,2'-Bi-2H-azepine]-2,2'-dione, dodecahydro-
CAS Number:
16308-48-8
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
7-(7-oxoazepan-2-yl)azepan-2-one
InChI:
InChI=1S/C12H20N2O2/c15-11-7-3-1-5-9(13-11)10-6-2-4-8-12(16)14-10/h9-10H,1-8H2,(H,13,15)(H,14,16)
InChI Key:
BQQZMQKKIIAULZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(N1)C1CCCCC(=O)N1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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