3-Carboxybenzaldehyde
TL;DR: 3-Carboxybenzaldehyde (CAS 619-21-6) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-formylbenzoic acid
Also Known As: 3-FORMYLBENZOIC ACID, 3-Carboxybenzaldehyde, Benzoic acid, 3-formyl-, m-Formyl benzoic acid, Isophthalaldehydic acid
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O3 |
| Molecular Weight | 150.0317 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.0317 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C=O |
| InChIKey | UHDNUPHSDMOGCR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Carboxybenzaldehyde
Property Insights of 3-Carboxybenzaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxybenzaldehyde. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Carboxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carboxybenzaldehyde has 1 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 3-Carboxybenzaldehyde?
The CAS number of 3-Carboxybenzaldehyde is 619-21-6.
What is the molecular formula of 3-Carboxybenzaldehyde?
The molecular formula of 3-Carboxybenzaldehyde is C8H6O3.
What is the molecular weight of 3-Carboxybenzaldehyde?
The molecular weight of 3-Carboxybenzaldehyde is 150.0317 g/mol.
Where can I buy 3-Carboxybenzaldehyde?
You can request a quote for 3-Carboxybenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxybenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Carboxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.