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69579-14-2 | Butanoic acid,3-[2-(6-methyl-3-pyridazinyl)hydrazinylidene]-, 1,1-dimethylethyl ester
CAS No: 69579-14-2 Catalog No: AG005K4B MDL No:
Product Description
Catalog Number:
AG005K4B
Chemical Name:
Butanoic acid,3-[2-(6-methyl-3-pyridazinyl)hydrazinylidene]-, 1,1-dimethylethyl ester
CAS Number:
69579-14-2
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
IUPAC Name:
tert-butyl 3-[(6-methylpyridazin-3-yl)hydrazinylidene]butanoate
InChI:
InChI=1S/C13H20N4O2/c1-9-6-7-11(16-14-9)17-15-10(2)8-12(18)19-13(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)
InChI Key:
TWJIVZPKDMZUFW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)C/C(=N\Nc1ccc(nn1)C)/C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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