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1698-95-9 | Proquinolate
CAS No: 1698-95-9 Catalog No: AG00AM7F MDL No:
Product Description
Catalog Number:
AG00AM7F
Chemical Name:
Proquinolate
CAS Number:
1698-95-9
IUPAC Name:
methyl 4-oxo-6,7-di(propan-2-yloxy)-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C17H21NO5/c1-9(2)22-14-6-11-13(7-15(14)23-10(3)4)18-8-12(16(11)19)17(20)21-5/h6-10H,1-5H3,(H,18,19)
InChI Key:
VSIUFPQOEIKNCY-UHFFFAOYSA-N
UNII:
5M91328O79
NSC Number:
201112
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.357g/mol
Monoisotopic Mass:
319.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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