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125674-59-1 | Phosphonic acid, [4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl]-, diammonium salt (9CI)
CAS No: 125674-59-1 Catalog No: AG000OC2 MDL No:
Product Description
Catalog Number:
AG000OC2
Chemical Name:
Phosphonic acid, [4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl]-, diammonium salt (9CI)
CAS Number:
125674-59-1
Molecular Formula:
C8H15N4O4P
Molecular Weight:
262.2029
IUPAC Name:
diazanium;dioxido-oxo-(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)-λ5-phosphane
InChI:
InChI=1S/C8H9N2O4P.2H3N/c11-15(12,13)8-5-7(10-14-8)6-1-3-9-4-2-6;;/h1-4,8H,5H2,(H2,11,12,13);2*1H3
InChI Key:
VEUAVVZAOBCXLI-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(C1ON=C(C1)c1ccncc1)[O-].[NH4+].[NH4+]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.206g/mol
Monoisotopic Mass:
262.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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