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3565-42-2 | 2,3,4(1H)-Quinolinetrione
CAS No: 3565-42-2 Catalog No: AG00CY70 MDL No:
Product Description
Catalog Number:
AG00CY70
Chemical Name:
2,3,4(1H)-Quinolinetrione
CAS Number:
3565-42-2
IUPAC Name:
1H-quinoline-2,3,4-trione
InChI:
InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4H,(H,10,13)
InChI Key:
XPVHVCNSIGRTIK-UHFFFAOYSA-N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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