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116057-53-5 | Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (9CI)
CAS No: 116057-53-5 Catalog No: AG000BI8 MDL No:
Product Description
Catalog Number:
AG000BI8
Chemical Name:
Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (9CI)
CAS Number:
116057-53-5
Molecular Formula:
C5H21N3O7P2
Molecular Weight:
297.1837
IUPAC Name:
azane;3-methylbut-3-enyl phosphono hydrogen phosphate
InChI:
InChI=1S/C5H12O7P2.3H3N/c1-5(2)3-4-11-14(9,10)12-13(6,7)8;;;/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8);3*1H3
InChI Key:
JREYOWJEWZVAOR-UHFFFAOYSA-N
SMILES:
CC(=C)CCOP(=O)(OP(=O)([O-])[O-])[O-].[NH4+].[NH4+].[NH4+]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
297.185g/mol
Monoisotopic Mass:
297.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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