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102-32-9

102-32-9 structural image
Product Name: 3,4-Dihydroxyphenylacetic acid
Formula: C8H8O4
Synonyms: DOPAC;Homoprotocatechuic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white powder; [Alfa Aesar MSDS]
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
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
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.

RELATED SUPPLIERS

REDDY N REDDY PHARMACEUTICALS

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product:102-32-9 3,4-DI HYDROXY PHENYL ACETIC ACID 98%

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