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Homovanillic Acid structure
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Homovanillic Acid

TL;DR: Homovanillic Acid (CAS 306-08-1) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(4-hydroxy-3-methoxyphenyl)acetic acid

Also Known As: Homovanillic acid, 4-Hydroxy-3-methoxyphenylacetic acid, Vanillacetic acid, Homovanillate, Vanilacetic acid

CAS Number
306-08-1
Molecular Formula
C9H10O4
Molecular Weight
182.0579 g/mol
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Application Areas

Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (59 patents) Analytical Reagents (470 patents) Biotechnology (478 patents) Catalysts (3 patents) Coatings & Adhesives (2 patents)

Technical Specifications

Molecular FormulaC9H10O4
Molecular Weight182.0579 g/mol
XLogP0.4
Topological Polar Surface Area (TPSA)66.8 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass182.0579 Da
Heavy Atoms13
Complexity180.0
Melting Point138 - 140 °C
Vapor Pressure0.00000823 [mmHg]
Solubility17 mg/mL
SMILESCOC1=C(C=CC(=C1)CC(=O)O)O
InChIKeyQRMZSPFSDQBLIX-UHFFFAOYSA-N

Product Description

Applications: Homovanillic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Homovanillic Acid (CAS 306-08-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Homovanillic Acid (CAS 306-08-1) is a pharmaceutical intermediate with the molecular formula C9H10O4 and a molecular weight of 182.06 g/mol. Key physical properties include a solubility: 17 mg/mL. It is also known as Homovanillic acid and 4-Hydroxy-3-methoxyphenylacetic acid.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Homovanillic Acid

XLogP
0.4
TPSA (Topological Polar Surface Area)
66.8
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
13
Complexity
180.0
Exact Mass
182.0579
Monoisotopic Mass
182.0579
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Homovanillic Acid

The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homovanillic Acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Homovanillic Acid. Following Lipinski's Rule of Five, Homovanillic 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

What is the CAS number of Homovanillic Acid?

The CAS number of Homovanillic Acid is 306-08-1.

What is the molecular formula of Homovanillic Acid?

The molecular formula of Homovanillic Acid is C9H10O4.

What is the molecular weight of Homovanillic Acid?

The molecular weight of Homovanillic Acid is 182.0579 g/mol.

What are the applications of Homovanillic Acid?

Homovanillic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Homovanillic Acid (CAS 306-08-1) with...

Where can I buy Homovanillic Acid?

You can request a quote for Homovanillic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Homovanillic Acid?

Yes, CoreyChem provides custom synthesis services for Homovanillic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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