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7249-41-4 | triethyl 6-methyl-3,6-dihydropyridazine-1,2,3-tricarboxylate
CAS No: 7249-41-4 Catalog No: AG005GXW MDL No:
Product Description
Catalog Number:
AG005GXW
Chemical Name:
triethyl 6-methyl-3,6-dihydropyridazine-1,2,3-tricarboxylate
CAS Number:
7249-41-4
Molecular Formula:
C14H22N2O6
Molecular Weight:
314.3343
IUPAC Name:
triethyl 6-methyl-3,6-dihydropyridazine-1,2,3-tricarboxylate
InChI:
InChI=1S/C14H22N2O6/c1-5-20-12(17)11-9-8-10(4)15(13(18)21-6-2)16(11)14(19)22-7-3/h8-11H,5-7H2,1-4H3
InChI Key:
YDWMOBVGIMHRLA-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C(C=CC(N1C(=O)OCC)C)C(=O)OCC
NSC Number:
43343
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.338g/mol
Monoisotopic Mass:
314.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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