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1289388-46-0 | 1-Piperidinecarboxylic acid, 3-[(6-methyl-3-pyridazinyl)oxy]-, 1,1-dimethylethyl ester
CAS No: 1289388-46-0 Catalog No: AG000YO0 MDL No:
Product Description
Catalog Number:
AG000YO0
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(6-methyl-3-pyridazinyl)oxy]-, 1,1-dimethylethyl ester
CAS Number:
1289388-46-0
Molecular Formula:
C15H23N3O3
Molecular Weight:
293.3614
IUPAC Name:
tert-butyl 3-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O3/c1-11-7-8-13(17-16-11)20-12-6-5-9-18(10-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3
InChI Key:
GPQCPTOIJOGTHN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)Oc1ccc(nn1)C)OC(C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.367g/mol
Monoisotopic Mass:
293.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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