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861841-97-6 | 2(1H)-Quinolinone, 5-acetyl-7-(phenylmethoxy)-
CAS No: 861841-97-6 Catalog No: AG004K6B MDL No:
Product Description
Catalog Number:
AG004K6B
Chemical Name:
2(1H)-Quinolinone, 5-acetyl-7-(phenylmethoxy)-
CAS Number:
861841-97-6
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
5-acetyl-7-phenylmethoxy-1H-quinolin-2-one
InChI:
InChI=1S/C18H15NO3/c1-12(20)16-9-14(22-11-13-5-3-2-4-6-13)10-17-15(16)7-8-18(21)19-17/h2-10H,11H2,1H3,(H,19,21)
InChI Key:
RHNAJMOOMWAYNN-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(OCc2ccccc2)cc2c1ccc(=O)[nH]2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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