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88758-67-2 | Ethanimidamide, N-[[(1-methylethoxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-67-2 Catalog No: AG004C29 MDL No:
Product Description
Catalog Number:
AG004C29
Chemical Name:
Ethanimidamide, N-[[(1-methylethoxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-67-2
Molecular Formula:
C15H17N3O4
Molecular Weight:
303.3132
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propan-2-yl carbonate
InChI:
InChI=1S/C15H17N3O4/c1-10(2)21-15(19)22-18-13(16)9-20-12-7-3-5-11-6-4-8-17-14(11)12/h3-8,10H,9H2,1-2H3,(H2,16,18)
InChI Key:
FHVFWSVODRIDHZ-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)OC(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.318g/mol
Monoisotopic Mass:
303.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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