3-Methylbenzene-1,2-dicarboxylic acid
TL;DR: 3-Methylbenzene-1,2-dicarboxylic acid (CAS 37102-74-2) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylphthalic acid
Also Known As: 3-METHYLPHTHALIC ACID, 3-Methylphthalate, METHYLPHTHALATE, 3-methyl phthalic acid, 3-methyl-phthalic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 37102-74-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)C(=O)O |
| InChIKey | IBFJDBNISOJRCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzene-1,2-dicarboxylic acid (CAS 37102-74-2), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 3-methylphthalic acid.
Chemical Property Profile of 3-Methylbenzene-1,2-dicarboxylic acid
Property Insights of 3-Methylbenzene-1,2-dicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbenzene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Methylbenzene-1,2-dicarboxylic acid 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-Methylbenzene-1,2-dicarboxylic acid?
The CAS number of 3-Methylbenzene-1,2-dicarboxylic acid is 37102-74-2.
What is the molecular formula of 3-Methylbenzene-1,2-dicarboxylic acid?
The molecular formula of 3-Methylbenzene-1,2-dicarboxylic acid is C9H8O4.
What is the molecular weight of 3-Methylbenzene-1,2-dicarboxylic acid?
The molecular weight of 3-Methylbenzene-1,2-dicarboxylic acid is 180.04 g/mol.
Where can I buy 3-Methylbenzene-1,2-dicarboxylic acid?
You can request a quote for 3-Methylbenzene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.