Benzoate
TL;DR: Benzoate (CAS 766-76-7) is a chemical compound with molecular formula C7H5O2- and molecular weight 121.02895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzoate
Also Known As: benzoate, benzoic acid, Phenylformate, Benzeneformate, sodium benzoate
Technical Specifications
| Molecular Formula | C7H5O2- |
| Molecular Weight | 121.02895 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.02895 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| SMILES | C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-M |
Product Description
Applications: Benzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzoate (CAS 766-76-7) is a fine chemical with the molecular formula C7H5O2- and a molecular weight of 121.03 g/mol. Synonyms include benzoate and benzoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoate
Property Insights of Benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoate. With a topological polar surface area (TPSA) of 40.1 Ų, Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoate?
The CAS number of Benzoate is 766-76-7.
What is the molecular formula of Benzoate?
The molecular formula of Benzoate is C7H5O2-.
What is the molecular weight of Benzoate?
The molecular weight of Benzoate is 121.02895 g/mol.
What are the applications of Benzoate?
Benzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Benzoate?
You can request a quote for Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoate?
Yes, CoreyChem provides custom synthesis services for Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.