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99058-66-9 | 5-Amino-1-methylimidazole Picrate
CAS No: 99058-66-9 Catalog No: AG003MCM MDL No:MFCD24335244
Product Description
Catalog Number:
AG003MCM
Chemical Name:
5-Amino-1-methylimidazole Picrate
CAS Number:
99058-66-9
Molecular Formula:
C10H10N6O7
Molecular Weight:
326.2224
MDL Number:
MFCD24335244
IUPAC Name:
3-methylimidazol-4-amine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C4H7N3/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-7-3-6-2-4(7)5/h1-2,10H;2-3H,5H2,1H3
InChI Key:
WZSPVASXIPUFCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cn1cncc1N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.225g/mol
Monoisotopic Mass:
326.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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