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18061-48-8 | 4(1H)-Quinolinone, 1-(acetyloxy)-, 4-(O-acetyloxime)
CAS No: 18061-48-8 Catalog No: AG00226R MDL No:
Product Description
Catalog Number:
AG00226R
Chemical Name:
4(1H)-Quinolinone, 1-(acetyloxy)-, 4-(O-acetyloxime)
CAS Number:
18061-48-8
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
[(1-acetyloxyquinolin-4-ylidene)amino] acetate
InChI:
InChI=1S/C13H12N2O4/c1-9(16)18-14-12-7-8-15(19-10(2)17)13-6-4-3-5-11(12)13/h3-8H,1-2H3
InChI Key:
HGGQOJCRQGAQBU-UHFFFAOYSA-N
SMILES:
CC(=O)ON=c1ccn(c2c1cccc2)OC(=O)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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