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116218-14-5 | 1,5-Diazocine-2,4,7(3H)-trione, tetrahydro-
CAS No: 116218-14-5 Catalog No: AG000BYO MDL No:
Product Description
Catalog Number:
AG000BYO
Chemical Name:
1,5-Diazocine-2,4,7(3H)-trione, tetrahydro-
CAS Number:
116218-14-5
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
1,5-diazocane-2,4,7-trione
InChI:
InChI=1S/C6H8N2O3/c9-4-2-7-5(10)1-6(11)8-3-4/h1-3H2,(H,7,10)(H,8,11)
InChI Key:
KXNAMPNVHVSMKK-UHFFFAOYSA-N
SMILES:
O=C1CNC(=O)CC(=O)NC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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