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102584-28-1 | Pyridinium, 1-[2-(2-pyridinyl)ethyl]-, phosphate (1:1)
CAS No: 102584-28-1 Catalog No: AG0007TL MDL No:
Product Description
Catalog Number:
AG0007TL
Chemical Name:
Pyridinium, 1-[2-(2-pyridinyl)ethyl]-, phosphate (1:1)
CAS Number:
102584-28-1
Molecular Formula:
C12H15N2O4P
Molecular Weight:
282.2323
IUPAC Name:
dihydrogen phosphate;2-(2-pyridin-1-ium-1-ylethyl)pyridine
InChI:
InChI=1S/C12H13N2.H3O4P/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12;1-5(2,3)4/h1-6,8-10H,7,11H2;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
WMOUKXZVZALMKS-UHFFFAOYSA-M
SMILES:
c1ccc(nc1)CC[n+]1ccccc1.[O-]P(=O)(O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.236g/mol
Monoisotopic Mass:
282.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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