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89408-02-6 | Hexanoic acid, 5-(2-thiazolylhydrazono)-
CAS No: 89408-02-6 Catalog No: AG003VXT MDL No:
Product Description
Catalog Number:
AG003VXT
Chemical Name:
Hexanoic acid, 5-(2-thiazolylhydrazono)-
CAS Number:
89408-02-6
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
IUPAC Name:
5-(1,3-thiazol-2-ylhydrazinylidene)hexanoic acid
InChI:
InChI=1S/C9H13N3O2S/c1-7(3-2-4-8(13)14)11-12-9-10-5-6-15-9/h5-6H,2-4H2,1H3,(H,10,12)(H,13,14)
InChI Key:
FHTZEJYWCKMLMH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=NNc1nccs1)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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