Nickel Benzoate - CAS 553-71-9
Catalog: |
BB058648 |
Product Name: |
Nickel Benzoate |
CAS: |
553-71-9 |
Synonyms: |
Benzoic Acid Nickel(II) Salt; Bis(benzoato)nickel; Nickel Dibenzoate; Nickel(2+) Benzoate; Nickel(II) Benzoate |
IUPAC Name: | nickel(2+)dibenzoate |
Description: | Benzoic Acid is used in the synthesis of 1,3,4-oxadiazoles with pharmaceutical activity. Also used in the synthesis of selective human A3 adenosine receptor antagonists. |
Molecular Weight: | 300.92 |
Molecular Formula: | C14H10O4Ni |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ni+2] |
InChI: | InChI=1S/2C7H6O2.Ni/c2*8-7(9)6-4-2-1-3-5-6/h2*1-5H,(H,8,9)/q+2/p-2 |
InChI Key: | GAIQJSWQJOZOMI-UHFFFAOYSA-L |
References: | Rouhani, M. et al. Ultrason. Biochem., 21, 262 (2014); Squarcialupi, L. et al. J. Medic. Chem., 56, 2256 (2013). |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P203, P260, P261, P264, P270, P272, P273, P280, P281, P284, P302+P352, P304+P340, P318, P319, P321, P333+P313, P342+P316, P362+P364, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 98 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.99325 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.99325 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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