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90475-68-6 | 2(1H)-Quinolinone, 3,4,8-trimethoxy-1-methyl-
CAS No: 90475-68-6 Catalog No: AG006P82 MDL No:
Product Description
Catalog Number:
AG006P82
Chemical Name:
2(1H)-Quinolinone, 3,4,8-trimethoxy-1-methyl-
CAS Number:
90475-68-6
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
3,4,8-trimethoxy-1-methylquinolin-2-one
InChI:
InChI=1S/C13H15NO4/c1-14-10-8(6-5-7-9(10)16-2)11(17-3)12(18-4)13(14)15/h5-7H,1-4H3
InChI Key:
MTKCKSBCXFDXHU-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(=O)n(c2c1cccc2OC)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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