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54904-39-1 | 6,8-Dimethylquinolin-2(1H);-one
CAS No: 54904-39-1 Catalog No: AG003N1M MDL No:MFCD15143578
Product Description
Catalog Number:
AG003N1M
Chemical Name:
6,8-Dimethylquinolin-2(1H);-one
CAS Number:
54904-39-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD15143578
IUPAC Name:
6,8-dimethyl-1H-quinolin-2-one
InChI:
InChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12-11/h3-6H,1-2H3,(H,12,13)
InChI Key:
XZUCGWFQXJFKRF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)ccc(=O)[nH]2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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