(3-Nitrophenyl)methanediol
TL;DR: (3-Nitrophenyl)methanediol (CAS 85152-59-6) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)methanediol
Also Known As: 3-nitrobenzaldehyde hydrate
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 0.578 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 297.21277 |
Chemical Identifiers
| CAS Number | 85152-59-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(O)O |
Product Overview
(3-Nitrophenyl)methanediol (CAS 85152-59-6), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: (3-nitrophenyl)methanediol.
Chemical Property Profile of (3-Nitrophenyl)methanediol
Property Insights of (3-Nitrophenyl)methanediol
The XLogP value of 0.578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl)methanediol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)methanediol. Following Lipinski's Rule of Five, (3-Nitrophenyl)methanediol has 2 hydrogen bond donor(s) and 4 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 (3-Nitrophenyl)methanediol?
The CAS number of (3-Nitrophenyl)methanediol is 85152-59-6.
What is the molecular formula of (3-Nitrophenyl)methanediol?
The molecular formula of (3-Nitrophenyl)methanediol is C7H7NO4.
What is the molecular weight of (3-Nitrophenyl)methanediol?
The molecular weight of (3-Nitrophenyl)methanediol is 169.04 g/mol.
Where can I buy (3-Nitrophenyl)methanediol?
You can request a quote for (3-Nitrophenyl)methanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl)methanediol?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)methanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.