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89408-00-4 | Hexanoic acid, 5-(2-thiazolylhydrazono)-, ethyl ester
CAS No: 89408-00-4 Catalog No: AG004ND6 MDL No:
Product Description
Catalog Number:
AG004ND6
Chemical Name:
Hexanoic acid, 5-(2-thiazolylhydrazono)-, ethyl ester
CAS Number:
89408-00-4
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
IUPAC Name:
ethyl 5-(1,3-thiazol-2-ylhydrazinylidene)hexanoate
InChI:
InChI=1S/C11H17N3O2S/c1-3-16-10(15)6-4-5-9(2)13-14-11-12-7-8-17-11/h7-8H,3-6H2,1-2H3,(H,12,14)
InChI Key:
PPEIOTZKCFBVRN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=NNc1nccs1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.336g/mol
Monoisotopic Mass:
255.104g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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