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13240-40-9 | 3,4-Quinolinedione, 3-one
CAS No: 13240-40-9 Catalog No: AG0010NE MDL No:
Product Description
Catalog Number:
AG0010NE
Chemical Name:
3,4-Quinolinedione, 3-one
CAS Number:
13240-40-9
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
3-diazonioquinolin-4-olate
InChI:
InChI=1S/C9H5N3O/c10-12-8-5-11-7-4-2-1-3-6(7)9(8)13/h1-5H
InChI Key:
YGAXQKFQHDMBFL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Nc2c(C1=O)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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