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88758-89-8 | Ethanimidamide, N-(acetyloxy)-2-(8-quinolinyloxy)-
CAS No: 88758-89-8 Catalog No: AG008BDS MDL No:
Product Description
Catalog Number:
AG008BDS
Chemical Name:
Ethanimidamide, N-(acetyloxy)-2-(8-quinolinyloxy)-
CAS Number:
88758-89-8
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] acetate
InChI:
InChI=1S/C13H13N3O3/c1-9(17)19-16-12(14)8-18-11-6-2-4-10-5-3-7-15-13(10)11/h2-7H,8H2,1H3,(H2,14,16)
InChI Key:
RMWLOWHUUHMXME-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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