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84261-51-8 | 3-ETHYL-3-HYDROXY-2,4(1H,3H)-QUINOLINEDIONE
CAS No: 84261-51-8 Catalog No: AG0056QB MDL No:
Product Description
Catalog Number:
AG0056QB
Chemical Name:
3-ETHYL-3-HYDROXY-2,4(1H,3H)-QUINOLINEDIONE
CAS Number:
84261-51-8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
3-ethyl-3-hydroxy-1H-quinoline-2,4-dione
InChI:
InChI=1S/C11H11NO3/c1-2-11(15)9(13)7-5-3-4-6-8(7)12-10(11)14/h3-6,15H,2H2,1H3,(H,12,14)
InChI Key:
MQKGEYZLIGWSMS-UHFFFAOYSA-N
SMILES:
CCC1(O)C(=O)Nc2c(C1=O)cccc2
NSC Number:
370852
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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