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1395492-99-5 | Pyrido[3,4-c]pyridazine-7(3H)-carboxylic acid, 2,5,6,8-tetrahydro-3-oxo-, 1,1-dimethylethyl ester
CAS No: 1395492-99-5 Catalog No: AG001B7V MDL No:MFCD22565636
Product Description
Catalog Number:
AG001B7V
Chemical Name:
Pyrido[3,4-c]pyridazine-7(3H)-carboxylic acid, 2,5,6,8-tetrahydro-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1395492-99-5
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD22565636
IUPAC Name:
tert-butyl 3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxylate
InChI:
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-8-6-10(16)14-13-9(8)7-15/h6H,4-5,7H2,1-3H3,(H,14,16)
InChI Key:
YLXLIOQJOYQKCL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)n[nH]c(=O)c2)OC(C)(C)C
Properties
Complexity:
446
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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