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30504-92-8 | 4(1H)-Quinolinone, 2,3-dihydro-2-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 30504-92-8 Catalog No: AG0030EF MDL No:
Product Description
Catalog Number:
AG0030EF
Chemical Name:
4(1H)-Quinolinone, 2,3-dihydro-2-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
30504-92-8
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C17H17NO3S/c1-12-7-9-14(10-8-12)22(20,21)18-13(2)11-17(19)15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3
InChI Key:
XQRKTYGSOLWQBU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C(C)CC(=O)c2c1cccc2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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