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74057-17-3 | Pyrido[3,4-c]pyridazine-1,2-dicarboxylic acid, 3,4-dihydro-, diethyl ester
CAS No: 74057-17-3 Catalog No: AG0059S0 MDL No:
Product Description
Catalog Number:
AG0059S0
Chemical Name:
Pyrido[3,4-c]pyridazine-1,2-dicarboxylic acid, 3,4-dihydro-, diethyl ester
CAS Number:
74057-17-3
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
IUPAC Name:
diethyl 3,4-dihydropyrido[3,4-c]pyridazine-1,2-dicarboxylate
InChI:
InChI=1S/C13H17N3O4/c1-3-19-12(17)15-8-6-10-5-7-14-9-11(10)16(15)13(18)20-4-2/h5,7,9H,3-4,6,8H2,1-2H3
InChI Key:
SEUMHBLOSRMBPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(N1C(=O)OCC)cncc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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