200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 867344-22-7
867344-22-7 | Pyridine, 3,3'-(1,3,4-oxadiazole-2,5-diyl)bis-, (2E)-2-butenedioate (1:1)
CAS No: 867344-22-7 Catalog No: AG004NBJ MDL No:
Product Description
Catalog Number:
AG004NBJ
Chemical Name:
Pyridine, 3,3'-(1,3,4-oxadiazole-2,5-diyl)bis-, (2E)-2-butenedioate (1:1)
CAS Number:
867344-22-7
Molecular Formula:
C16H12N4O5
Molecular Weight:
340.2903
IUPAC Name:
but-2-enedioic acid;2,5-dipyridin-3-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H8N4O.C4H4O4/c1-3-9(7-13-5-1)11-15-16-12(17-11)10-4-2-6-14-8-10;5-3(6)1-2-4(7)8/h1-8H;1-2H,(H,5,6)(H,7,8)
InChI Key:
KHRLYAIKABBRHJ-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1nnc(o1)c1cccnc1.OC(=O)/C=C/C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.295g/mol
Monoisotopic Mass:
340.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.