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874491-58-4,MFCD16631569
Catalog No.:AA01AQGD
874491-58-4 | Ethyl (6-oxopyridazin-1(6h)-yl)acetate
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1g
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2 weeks  
$749.00   $524.00
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Technical Information
Catalog Number:
AA01AQGD
Chemical Name:
Ethyl (6-oxopyridazin-1(6h)-yl)acetate
CAS Number:
874491-58-4
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD16631569
IUPAC Name:
ethyl 2-(6-oxopyridazin-1-yl)acetate
InChI:
InChI=1S/C8H10N2O3/c1-2-13-8(12)6-10-7(11)4-3-5-9-10/h3-5H,2,6H2,1H3
InChI Key:
ZIRHWJVYWVLEGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1ncccc1=O
Properties
Computed Properties
 
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
Ethyl (6-oxopyridazin-1(6H)-yl)acetate 
874491-58-4 
ethyl 2-(6-oxo-1,6-dihydropyridazin-1-yl)acetate 
N/A 
ethyl 2-(6-oxopyridazin-1(6H)-yl)acetate 
F1967-0820 
ethyl 2-(6-oxopyridazin-1-yl)acetate 
ZINC36652417 
AKOS012145877 
MCULE-6832584985 
ethyl (6-oxo-1(6H)-pyridazinyl)acetate 
L-3359 
Literature
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