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189003-16-5 | 3-Isoxazolamine, 5-methyl-, phosphate (1:1)
CAS No: 189003-16-5 Catalog No: AG002HPF MDL No:
Product Description
Catalog Number:
AG002HPF
Chemical Name:
3-Isoxazolamine, 5-methyl-, phosphate (1:1)
CAS Number:
189003-16-5
Molecular Formula:
C4H9N2O5P
Molecular Weight:
196.0984
IUPAC Name:
5-methyl-1,2-oxazol-3-amine;phosphoric acid
InChI:
InChI=1S/C4H6N2O.H3O4P/c1-3-2-4(5)6-7-3;1-5(2,3)4/h2H,1H3,(H2,5,6);(H3,1,2,3,4)
InChI Key:
RMNGNRNFOUYWCK-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Nc1noc(c1)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
196.099g/mol
Monoisotopic Mass:
196.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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