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88038-64-6 | 2-Butenenitrile, 3-hydroxy-2-(8-quinolinylazo)-
CAS No: 88038-64-6 Catalog No: AG004N1A MDL No:
Product Description
Catalog Number:
AG004N1A
Chemical Name:
2-Butenenitrile, 3-hydroxy-2-(8-quinolinylazo)-
CAS Number:
88038-64-6
Molecular Formula:
C13H10N4O
Molecular Weight:
238.2447
IUPAC Name:
2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
InChI:
InChI=1S/C13H10N4O/c1-9(18)12(8-14)17-16-11-6-2-4-10-5-3-7-15-13(10)11/h2-7,16H,1H3
InChI Key:
SZYBQKQITBMVEE-UHFFFAOYSA-N
SMILES:
N#CC(=C(O)C)N=Nc1cccc2c1nccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.25g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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