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1000018-23-4 | 4-Piperidinecarboxylic acid, 1-(1,6-dihydro-6-oxo-4-pyridazinyl)-, ethyl ester
CAS No: 1000018-23-4 Catalog No: AG000094 MDL No:MFCD09864836
Product Description
Catalog Number:
AG000094
Chemical Name:
4-Piperidinecarboxylic acid, 1-(1,6-dihydro-6-oxo-4-pyridazinyl)-, ethyl ester
CAS Number:
1000018-23-4
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD09864836
IUPAC Name:
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxylate
InChI:
InChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-5-15(6-4-9)10-7-11(16)14-13-8-10/h7-9H,2-6H2,1H3,(H,14,16)
InChI Key:
LKAKDRBQUGHAAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)c1cn[nH]c(=O)c1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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