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78232-20-9 | 2,4'-DIFORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE
CAS No: 78232-20-9 Catalog No: AG0054NG MDL No:
Product Description
Catalog Number:
AG0054NG
Chemical Name:
2,4'-DIFORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE
CAS Number:
78232-20-9
Molecular Formula:
C14H14Cl2N2O3
Molecular Weight:
329.1786
IUPAC Name:
1-[(4-formylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-2-carbaldehyde;dichloride
InChI:
InChI=1S/C14H14N2O3.2ClH/c17-9-13-4-7-15(8-5-13)11-19-12-16-6-2-1-3-14(16)10-18;;/h1-10H,11-12H2;2*1H/q+2;;/p-2
InChI Key:
IWFCWSODAXPZSN-UHFFFAOYSA-L
SMILES:
O=Cc1cc[n+](cc1)COC[n+]1ccccc1C=O.[Cl-].[Cl-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.177g/mol
Monoisotopic Mass:
328.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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