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] |
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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 |
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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 |
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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.