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20886-48-0

20886-48-0 | 2(1H)-Quinolinone, 3,4-dihydro-1,4,4-trimethyl-

CAS No: 20886-48-0 Catalog No: AG002JX6 MDL No:

Product Description

Catalog Number:
AG002JX6
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-1,4,4-trimethyl-
CAS Number:
20886-48-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1,4,4-trimethyl-3H-quinolin-2-one
InChI:
InChI=1S/C12H15NO/c1-12(2)8-11(14)13(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3
InChI Key:
GVCMFAGYMNVFSA-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)c2c(N1C)cccc2

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
α-Lithiation and electrophilic substitution of 1,4,4-trimethyl-3,4-dihydroquinolin-2-one. Molecules (Basel, Switzerland) 20101029

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