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1000018-24-5 | 1(6H)-Pyridazineacetic acid, 6-oxo-4-(1-piperazinyl)-, ethyl ester
CAS No: 1000018-24-5 Catalog No: AG000093 MDL No:MFCD09864837
Product Description
Catalog Number:
AG000093
Chemical Name:
1(6H)-Pyridazineacetic acid, 6-oxo-4-(1-piperazinyl)-, ethyl ester
CAS Number:
1000018-24-5
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
MDL Number:
MFCD09864837
IUPAC Name:
ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate
InChI:
InChI=1S/C12H18N4O3/c1-2-19-12(18)9-16-11(17)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChI Key:
RVWYQADKYFRQJZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1ncc(cc1=O)N1CCNCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.301g/mol
Monoisotopic Mass:
266.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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