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25063-68-7 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-pyridinylamino)methylene]-
CAS No: 25063-68-7 Catalog No: AG002QCC MDL No:MFCD21606919
Product Description
Catalog Number:
AG002QCC
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-pyridinylamino)methylene]-
CAS Number:
25063-68-7
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD21606919
IUPAC Name:
2,2-dimethyl-5-[(pyridin-3-ylamino)methylidene]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C12H12N2O4/c1-12(2)17-10(15)9(11(16)18-12)7-14-8-4-3-5-13-6-8/h3-7,14H,1-2H3
InChI Key:
QZUHCJHZZJYTGE-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1=CNc1cccnc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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