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828939-21-5 | 3(2H)-Quinolinone, 1-acetyl-1,4-dihydro-2,2,6-trimethyl-
CAS No: 828939-21-5 Catalog No: AG004RNV MDL No:
Product Description
Catalog Number:
AG004RNV
Chemical Name:
3(2H)-Quinolinone, 1-acetyl-1,4-dihydro-2,2,6-trimethyl-
CAS Number:
828939-21-5
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
1-acetyl-2,2,6-trimethyl-4H-quinolin-3-one
InChI:
InChI=1S/C14H17NO2/c1-9-5-6-12-11(7-9)8-13(17)14(3,4)15(12)10(2)16/h5-7H,8H2,1-4H3
InChI Key:
NYFHCBCEUHFPRE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC(=O)C(N2C(=O)C)(C)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:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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