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88757-17-9

88757-17-9 | Ethanimidamide, N-[(methoxycarbonyl)oxy]-2-(8-quinolinyloxy)-

CAS No: 88757-17-9 Catalog No: AG008BOQ MDL No:

Product Description

Catalog Number:
AG008BOQ
Chemical Name:
Ethanimidamide, N-[(methoxycarbonyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88757-17-9
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] methyl carbonate
InChI:
InChI=1S/C13H13N3O4/c1-18-13(17)20-16-11(14)8-19-10-6-2-4-9-5-3-7-15-12(9)10/h2-7H,8H2,1H3,(H2,14,16)
InChI Key:
RSQBUGVFEVWQJM-UHFFFAOYSA-N
SMILES:
COC(=O)ONC(=N)COc1cccc2c1nccc2

Properties

Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  

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