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118450-81-0 | 2H-Pyrimido[1,2-b]pyridazine-4-carboxylic acid, 2-oxo-, methyl ester
CAS No: 118450-81-0 Catalog No: AG000IUM MDL No:
Product Description
Catalog Number:
AG000IUM
Chemical Name:
2H-Pyrimido[1,2-b]pyridazine-4-carboxylic acid, 2-oxo-, methyl ester
CAS Number:
118450-81-0
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
methyl 2-oxopyrimido[1,2-b]pyridazine-4-carboxylate
InChI:
InChI=1S/C9H7N3O3/c1-15-9(14)6-5-8(13)11-7-3-2-4-10-12(6)7/h2-5H,1H3
InChI Key:
SPPVIOQQOKHGDA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)nc2n1nccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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