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22384-04-9 | 1-Acetoxy-1,2-dihydro-2-oxo-3-quinolinecarbonitrile
CAS No: 22384-04-9 Catalog No: AG00BK9E MDL No:
Product Description
Catalog Number:
AG00BK9E
Chemical Name:
1-Acetoxy-1,2-dihydro-2-oxo-3-quinolinecarbonitrile
CAS Number:
22384-04-9
IUPAC Name:
(3-cyano-2-oxoquinolin-1-yl) acetate
InChI:
InChI=1S/C12H8N2O3/c1-8(15)17-14-11-5-3-2-4-9(11)6-10(7-13)12(14)16/h2-6H,1H3
InChI Key:
ZHLJJSBNDQVPDU-UHFFFAOYSA-N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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