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72107-10-9 | 6(2H)-Quinolinone, 2,2,4-trimethyl-, 1-oxide
CAS No: 72107-10-9 Catalog No: AG005K84 MDL No:
Product Description
Catalog Number:
AG005K84
Chemical Name:
6(2H)-Quinolinone, 2,2,4-trimethyl-, 1-oxide
CAS Number:
72107-10-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
2,2,4-trimethyl-1-oxidoquinolin-1-ium-6-one
InChI:
InChI=1S/C12H13NO2/c1-8-7-12(2,3)13(15)11-5-4-9(14)6-10(8)11/h4-7H,1-3H3
InChI Key:
OZVJJEICIZKEHS-UHFFFAOYSA-N
SMILES:
O=C1C=CC2=[N+]([O-])C(C=C(C2=C1)C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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