306-08-1
Product Name:
Homovanillic acid
Formula:
C9H10O4
Synonyms:
4-Hydroxy-3-methoxyphenylacetic acid;HVA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] White to pale brown crystalline powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 138 - 140 °C |
| Solubility | 17 mg/mL |
| Vapor Pressure | 0.00000823 [mmHg] |
| LogP | 0.33 |
| Collision Cross Section | 134.15 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1633 1659 1685 1657 |
| Chemical Classes | Biological Agents -> Other Biomolecules |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 182.17 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 182.05790880 g/mol |
| Monoisotopic Mass | 182.05790880 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 181 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Homovanillic acid is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a human metabolite and a mouse metabolite. It is a member of guaiacols and a monocarboxylic acid. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate.
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