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88757-12-4 | Ethanimidamide, N-hydroxy-2-[(2-methyl-8-quinolinyl)oxy]-
CAS No: 88757-12-4 Catalog No: AG008BOS MDL No:
Product Description
Catalog Number:
AG008BOS
Chemical Name:
Ethanimidamide, N-hydroxy-2-[(2-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-12-4
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N'-hydroxy-2-(2-methylquinolin-8-yl)oxyethanimidamide
InChI:
InChI=1S/C12H13N3O2/c1-8-5-6-9-3-2-4-10(12(9)14-8)17-7-11(13)15-16/h2-6,16H,7H2,1H3,(H2,13,15)
InChI Key:
QZSCNBMTCKSMFU-UHFFFAOYSA-N
SMILES:
ONC(=N)COc1cccc2c1nc(C)cc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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