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89081-03-8 | 2(1H)-Quinolinone, 4-methyl-3-(1-methylethyl)-
CAS No: 89081-03-8 Catalog No: AG0040LY MDL No:
Product Description
Catalog Number:
AG0040LY
Chemical Name:
2(1H)-Quinolinone, 4-methyl-3-(1-methylethyl)-
CAS Number:
89081-03-8
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4-methyl-3-propan-2-yl-1H-quinolin-2-one
InChI:
InChI=1S/C13H15NO/c1-8(2)12-9(3)10-6-4-5-7-11(10)14-13(12)15/h4-8H,1-3H3,(H,14,15)
InChI Key:
OZAHUQLAJKQMFB-UHFFFAOYSA-N
SMILES:
CC(c1c(=O)[nH]c2c(c1C)cccc2)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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