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Home > Imidazoles > 920745-89-7
920745-89-7 | 1H-Imidazolium, 1-methyl-3-propyl-, phosphate (1:1)
CAS No: 920745-89-7 Catalog No: AG0068J6 MDL No:
Product Description
Catalog Number:
AG0068J6
Chemical Name:
1H-Imidazolium, 1-methyl-3-propyl-, phosphate (1:1)
CAS Number:
920745-89-7
Molecular Formula:
C7H17N2O4P
Molecular Weight:
224.1946
IUPAC Name:
dihydrogen phosphate;1-methyl-3-propyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C7H14N2.H3O4P/c1-3-4-9-6-5-8(2)7-9;1-5(2,3)4/h5-6H,3-4,7H2,1-2H3;(H3,1,2,3,4)
InChI Key:
UMLWIDKPDLTWKN-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(O)O.CCCN1C=C[NH+](C1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.197g/mol
Monoisotopic Mass:
224.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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