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25063-69-8 | 1,3-Dioxane-4,6-dione, 5-[[(6-methoxy-3-pyridinyl)amino]methylene]-2,2-dimethyl-
CAS No: 25063-69-8 Catalog No: AG002QCB MDL No:MFCD00170987
Product Description
Catalog Number:
AG002QCB
Chemical Name:
1,3-Dioxane-4,6-dione, 5-[[(6-methoxy-3-pyridinyl)amino]methylene]-2,2-dimethyl-
CAS Number:
25063-69-8
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD00170987
IUPAC Name:
5-[[(6-methoxypyridin-3-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H14N2O5/c1-13(2)19-11(16)9(12(17)20-13)7-14-8-4-5-10(18-3)15-6-8/h4-7,14H,1-3H3
InChI Key:
RRLXNXFZXSSOGO-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)NC=C1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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