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13880-08-5 | 1,2-Ethanedione, 1,2-bis(hexahydro-2-oxo-1H-azepin-1-yl)-
CAS No: 13880-08-5 Catalog No: AG0019LA MDL No:
Product Description
Catalog Number:
AG0019LA
Chemical Name:
1,2-Ethanedione, 1,2-bis(hexahydro-2-oxo-1H-azepin-1-yl)-
CAS Number:
13880-08-5
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
IUPAC Name:
1,2-bis(2-oxoazepan-1-yl)ethane-1,2-dione
InChI:
InChI=1S/C14H20N2O4/c17-11-7-3-1-5-9-15(11)13(19)14(20)16-10-6-2-4-8-12(16)18/h1-10H2
InChI Key:
GYNRCRWNTNGPRI-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1C(=O)C(=O)N1CCCCCC1=O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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