Benzenepropanoic acid, beta-oxo-, ion(1-)
TL;DR: Benzenepropanoic acid, beta-oxo-, ion(1-) (CAS 29285-17-4) is a chemical compound with molecular formula C9H7O3- and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-phenylpropanoate
Also Known As: Benzoylacetate, Benzoyl acetate, 3-oxo-3-phenylpropionate, 3-oxo-3-phenylpropanoate, BENZOYL-ACETATE
| Molecular Formula | C9H7O3- |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 0.0093 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.03952 |
| Heavy Atoms | 12 |
| Complexity | 289.90176 |
Chemical Identifiers
| CAS Number | 29285-17-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)[O-] |
Product Overview
Benzenepropanoic acid, beta-oxo-, ion(1-) (CAS 29285-17-4), with molecular formula C9H7O3- and molecular weight 163.04 g/mol. IUPAC: 3-oxo-3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, beta-oxo-, ion(1-)
Property Insights of Benzenepropanoic acid, beta-oxo-, ion(1-)
The XLogP value of 0.0093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, beta-oxo-, ion(1-). With a topological polar surface area (TPSA) of 57.2 Ų, Benzenepropanoic acid, beta-oxo-, ion(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, beta-oxo-, ion(1-) 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
Frequently Asked Questions
What is the CAS number of Benzenepropanoic acid, beta-oxo-, ion(1-)?
The CAS number of Benzenepropanoic acid, beta-oxo-, ion(1-) is 29285-17-4.
What is the molecular formula of Benzenepropanoic acid, beta-oxo-, ion(1-)?
The molecular formula of Benzenepropanoic acid, beta-oxo-, ion(1-) is C9H7O3-.
What is the molecular weight of Benzenepropanoic acid, beta-oxo-, ion(1-)?
The molecular weight of Benzenepropanoic acid, beta-oxo-, ion(1-) is 163.04 g/mol.
Where can I buy Benzenepropanoic acid, beta-oxo-, ion(1-)?
You can request a quote for Benzenepropanoic acid, beta-oxo-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, beta-oxo-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, beta-oxo-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.