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Nickel benzoate , CAS No.553-71-9
Discover Nickel benzoate by Aladdin Scientific in for only $171.90. Available - in Ligands at Aladdin Scientific. an inorganic biochemical Tags: .
Basic Description
Synonyms
Benzoic acid, nickel(2+) salt | nickel(2+);dibenzoate | UNII-K7UVH77BH3 | AS-17703 | Q27282062 | nickel(2+) dibenzoate | NSC-176114 | Nickel dibenzoate | NSC 62432 | Benzoic acid, nickel(2+) salt (2:1) | EINECS 209-046-8 | K7UVH77BH3 | Nickel(II) benzoate
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Carboxylic acid salts Organic transition metal salts Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Benzoic acid - Benzoyl - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
nickel(2+);dibenzoate
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
InChIKey
GAIQJSWQJOZOMI-UHFFFAOYSA-L
Smiles
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ni+2]
Isomeric SMILES
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ni+2]
Molecular Weight
300.92
Reaxy-Rn
4023477
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4023477&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
300.920 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
299.993 Da
Monoisotopic Mass
299.993 Da
Topological Polar Surface Area
80.300 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
98.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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