水杨醛
TL;DR: 水杨醛 (CAS 90-02-8) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨醛
2-hydroxybenzaldehyde
Also Known As: SALICYLALDEHYDE, 2-Hydroxybenzaldehyde, o-Formylphenol, Salicylal, 2-Formylphenol
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Melting Point | -7.0 °C |
| Boiling Point | 196.7 °C at 760 mmHg |
| Density | 1.1674 at 20.0 °C |
| Solubility | Solubility in water, 1.7X10+4 mg/L at 86 °C |
| Flash Point | 77.8 °C |
| Vapor Pressure | 1.09 mmHg at 32.2 °C |
| Refractive Index | 1.5740 at 20 °C; Sadtler Ref Number: 9989 (IR, prism); max absorption (hexane): 257 nm (log e = 4.07); 324 nm (log e = 3.56) |
Chemical Identifiers
| CAS Number | 90-02-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)O |
| InChIKey | SMQUZDBALVYZAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨醛 (CAS 90-02-8), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 2-hydroxybenzaldehyde.
Chemical Property Profile of 水杨醛
Property Insights of 水杨醛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨醛. With a topological polar surface area (TPSA) of 37.3 Ų, 水杨醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨醛 has 1 hydrogen bond donor(s) and 2 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 水杨醛?
The CAS number of 水杨醛 is 90-02-8.
What is the molecular formula of 水杨醛?
The molecular formula of 水杨醛 is C7H6O2.
What is the molecular weight of 水杨醛?
The molecular weight of 水杨醛 is 122.04 g/mol.
Where can I buy 水杨醛?
You can request a quote for 水杨醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨醛?
Yes, KEHONG BIO provides custom synthesis services for 水杨醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.