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1178722-67-2 | 2,3-dimethyl-6-(4-methylphenoxy)-1,4-dihydroquinolin-4-one
CAS No: 1178722-67-2 Catalog No: AG01A2JO MDL No:MFCD22578621
Product Description
Catalog Number:
AG01A2JO
Chemical Name:
2,3-dimethyl-6-(4-methylphenoxy)-1,4-dihydroquinolin-4-one
CAS Number:
1178722-67-2
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD22578621
IUPAC Name:
2,3-dimethyl-6-(4-methylphenoxy)-1H-quinolin-4-one
InChI:
InChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)21-15-8-9-17-16(10-15)18(20)12(2)13(3)19-17/h4-10H,1-3H3,(H,19,20)
InChI Key:
OGYASEAEQPHEEA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ccc2c(c1)c(=O)c(c([nH]2)C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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