102-32-9
Product Name:
3,4-Dihydroxyphenylacetic acid
Formula:
C8H8O4
Synonyms:
DOPAC;Homoprotocatechuic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Off-white powder; [Alfa Aesar MSDS] |
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Melting Point | 128.5 °C |
Solubility | 4 mg/mL |
Vapor Pressure | 0.00000082 [mmHg] |
LogP | 0.98 |
Dissociation Constants | 4.25 (at 30 °C) |
Collision Cross Section | 125.7 Ų [M-H2O-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
Chemical Classes | Other Classes -> Organic Acids |
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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 168.15 g/mol |
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XLogP3 | 0.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 168.04225873 g/mol |
Monoisotopic Mass | 168.04225873 g/mol |
Topological Polar Surface Area | 77.8 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 168 |
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
(3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.