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150582-33-5 | 1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-, ethyl ester
CAS No: 150582-33-5 Catalog No: AG001MQV MDL No:
Product Description
Catalog Number:
AG001MQV
Chemical Name:
1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-, ethyl ester
CAS Number:
150582-33-5
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
ethyl 1,3-dimethyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
InChI:
InChI=1S/C11H13N3O3/c1-4-17-11(16)9-6(2)8-7(14(9)3)5-12-13-10(8)15/h5H,4H2,1-3H3,(H,13,15)
InChI Key:
FPAQBPNVLDLDTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)c2c(n1C)cn[nH]c2=O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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