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137265-26-0 | 2,5,8(1H)-Quinolinetrione, 1-methyl-
CAS No: 137265-26-0 Catalog No: AG00131C MDL No:
Product Description
Catalog Number:
AG00131C
Chemical Name:
2,5,8(1H)-Quinolinetrione, 1-methyl-
CAS Number:
137265-26-0
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
1-methylquinoline-2,5,8-trione
InChI:
InChI=1S/C10H7NO3/c1-11-9(14)5-2-6-7(12)3-4-8(13)10(6)11/h2-5H,1H3
InChI Key:
LYMKIWPWDNSKFU-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1n(C)c(=O)cc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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