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88579-25-3 | 2(1H)-Quinolinone, 6-acetyl-3,4-dihydro-1,4,4-trimethyl-
CAS No: 88579-25-3 Catalog No: AG008BEZ MDL No:
Product Description
Catalog Number:
AG008BEZ
Chemical Name:
2(1H)-Quinolinone, 6-acetyl-3,4-dihydro-1,4,4-trimethyl-
CAS Number:
88579-25-3
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
6-acetyl-1,4,4-trimethyl-3H-quinolin-2-one
InChI:
InChI=1S/C14H17NO2/c1-9(16)10-5-6-12-11(7-10)14(2,3)8-13(17)15(12)4/h5-7H,8H2,1-4H3
InChI Key:
DFBFKXFYTXAKJJ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)c2c(N1C)ccc(c2)C(=O)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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