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156335-52-3 | Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-1-methyl-4-oxo-, ethyl ester
CAS No: 156335-52-3 Catalog No: AG001OO6 MDL No:
Product Description
Catalog Number:
AG001OO6
Chemical Name:
Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-1-methyl-4-oxo-, ethyl ester
CAS Number:
156335-52-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
ethyl 1-methyl-4-oxopyrrolo[1,2-b]pyridazine-3-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(15)8-7-12(2)13-6-4-5-9(13)10(8)14/h4-7H,3H2,1-2H3
InChI Key:
WDGOVFCBCMNLSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C)n2c(c1=O)ccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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