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125674-63-7 | Phosphonic acid, (4,5-dihydro-3-propyl-5-isoxazolyl)-, diammonium salt (9CI)
CAS No: 125674-63-7 Catalog No: AG000OC1 MDL No:
Product Description
Catalog Number:
AG000OC1
Chemical Name:
Phosphonic acid, (4,5-dihydro-3-propyl-5-isoxazolyl)-, diammonium salt (9CI)
CAS Number:
125674-63-7
Molecular Formula:
C6H18N3O4P
Molecular Weight:
227.1986
IUPAC Name:
diazanium;dioxido-oxo-(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)-λ5-phosphane
InChI:
InChI=1S/C6H12NO4P.2H3N/c1-2-3-5-4-6(11-7-5)12(8,9)10;;/h6H,2-4H2,1H3,(H2,8,9,10);2*1H3
InChI Key:
XTYSBWNVQDNOND-UHFFFAOYSA-N
SMILES:
CCCC1=NOC(C1)P(=O)([O-])[O-].[NH4+].[NH4+]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.201g/mol
Monoisotopic Mass:
227.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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