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150582-31-3 | 1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-5-phenyl-, ethyl ester
CAS No: 150582-31-3 Catalog No: AG001MQX MDL No:
Product Description
Catalog Number:
AG001MQX
Chemical Name:
1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-5-phenyl-, ethyl ester
CAS Number:
150582-31-3
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
ethyl 1,3-dimethyl-4-oxo-5-phenylpyrrolo[2,3-d]pyridazine-2-carboxylate
InChI:
InChI=1S/C17H17N3O3/c1-4-23-17(22)15-11(2)14-13(19(15)3)10-18-20(16(14)21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChI Key:
HBUBTGAIWXMDFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)c2c(n1C)cnn(c2=O)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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