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85650-68-6 | 1,2,4,5-Benzenetetracarboxylicacid, ammonium salt (1:4)
CAS No: 85650-68-6 Catalog No: AG0050YF MDL No:
Product Description
Catalog Number:
AG0050YF
Chemical Name:
1,2,4,5-Benzenetetracarboxylicacid, ammonium salt (1:4)
CAS Number:
85650-68-6
Molecular Formula:
C10H18N4O8
Molecular Weight:
322.2719
IUPAC Name:
tetraazanium;benzene-1,2,4,5-tetracarboxylate
InChI:
InChI=1S/C10H6O8.4H3N/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3
InChI Key:
FCRPMISQNGXHQA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
EC Number:
288-077-9
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
322.274g/mol
Monoisotopic Mass:
322.112g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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