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179685-97-3 | 2,6-Quinolinedione, octahydro-
CAS No: 179685-97-3 Catalog No: AG00277C MDL No:
Product Description
Catalog Number:
AG00277C
Chemical Name:
2,6-Quinolinedione, octahydro-
CAS Number:
179685-97-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1,3,4,4a,5,7,8,8a-octahydroquinoline-2,6-dione
InChI:
InChI=1S/C9H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h6,8H,1-5H2,(H,10,12)
InChI Key:
RZRJOXZONQZTRE-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CCC(=O)N2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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