1,4,8-trimethylquin...

1,4,8-trimethylquinolin-2-one 53761-47-0

1,4,8-trimethylquinolin-2-one 53761-47-0

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1,4,8-trimethylquinolin-2-one 53761-47-0 C12H13NO

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

Identification and Related Records
【Name】
1,4,8-trimethylquinolin-2(1H)-one
【CAS Registry number】
53761-47-0
【Synonyms】
1,4,8-trimethylquinolin-2(1h)-one
NSC142631
AC1L63FU
AC1Q6I0Z
1,4,8-trimethylquinolin-2-one
KST-1B5051
AR-1B7398
ZINC01394028
1,4,8-trimethyl-2(1H)-quinolinone
AKOS006278164
6N-391S
NSC-142631
【Molecular Formula】
C12H13NO (Products with the same molecular formula)
【Molecular Weight】
187.2377
【Inchi】
InChI=1/C12H13NO/c1-8-5-4-6-10-9(2)7-11(14)13(3)12(8)10/h4-7H,1-3H3
【Canonical SMILES】
CC1=CC=CC2=C1N(C(=O)C=C2C)C
【MOL File】
53761-47-0.mol
Chemical and Physical Properties
【Density】
1.092g/cm3
【Boiling Point】
273.3°C at 760 mmHg
【Refractive Index】
1.566
【Flash Point】
115.9°C
【Computed Properties】
Molecular Weight:187.23772 [g/mol]
Molecular Formula:C12H13NO
XLogP3-AA:1.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:187.099714
MonoIsotopic Mass:187.099714
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Formal Charge:0
Complexity:282
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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