Benzoic acid, acetylmethyl ester
TL;DR: Benzoic acid, acetylmethyl ester (CAS 6656-60-6) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxopropyl benzoate
Also Known As: 2-oxopropyl benzoate, Hydroxyacetone benzoate, 2-oxopropylbenzoate, acetonyl benzoate, 1-Benzoyloxypropan-2-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
| SMILES | CC(=O)COC(=O)C1=CC=CC=C1 |
| InChIKey | JJANSRGIKCRCFG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, acetylmethyl ester
Property Insights of Benzoic acid, acetylmethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, acetylmethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, acetylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, acetylmethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, acetylmethyl ester?
The CAS number of Benzoic acid, acetylmethyl ester is 6656-60-6.
What is the molecular formula of Benzoic acid, acetylmethyl ester?
The molecular formula of Benzoic acid, acetylmethyl ester is C10H10O3.
What is the molecular weight of Benzoic acid, acetylmethyl ester?
The molecular weight of Benzoic acid, acetylmethyl ester is 178.06299 g/mol.
Where can I buy Benzoic acid, acetylmethyl ester?
You can request a quote for Benzoic acid, acetylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, acetylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, acetylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.