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42465-20-3 | Acequinoline
CAS No: 42465-20-3 Catalog No: AG00CNNH MDL No:
Product Description
Catalog Number:
AG00CNNH
Chemical Name:
Acequinoline
CAS Number:
42465-20-3
IUPAC Name:
1-(7-methoxy-2,4-dimethylquinolin-3-yl)ethanone
InChI:
InChI=1S/C14H15NO2/c1-8-12-6-5-11(17-4)7-13(12)15-9(2)14(8)10(3)16/h5-7H,1-4H3
InChI Key:
JKZQRPQTPLGSDW-UHFFFAOYSA-N
UNII:
FKJ64U4XOB
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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