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89225-75-2 | Acetic acid, [(1,6-dihydro-6-thioxo-3-pyridazinyl)oxy]-, ethyl ester
CAS No: 89225-75-2 Catalog No: AG00436V MDL No:
Product Description
Catalog Number:
AG00436V
Chemical Name:
Acetic acid, [(1,6-dihydro-6-thioxo-3-pyridazinyl)oxy]-, ethyl ester
CAS Number:
89225-75-2
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
IUPAC Name:
ethyl 2-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]acetate
InChI:
InChI=1S/C8H10N2O3S/c1-2-12-8(11)5-13-6-3-4-7(14)10-9-6/h3-4H,2,5H2,1H3,(H,10,14)
InChI Key:
KLYQSABEMJKYAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(=S)[nH]n1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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