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303-38-8

303-38-8 structural image
Product Name: 2,3-Dihydroxybenzoic acid
Formula: C7H6O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beige powder; [Aldrich MSDS]
Melting Point 204 °C
Vapor Pressure 0.0000021 [mmHg]
LogP 1.2
Dissociation Constants 2.91 (at 25 °C)
Collision Cross Section 118.42 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index 1372
Chemical Classes Other Classes -> Benzoic Acid Derivatives

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 154.12 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 154.02660867 g/mol
Monoisotopic Mass 154.02660867 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 157
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

2,3-dihydroxybenzoic acid is a dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. It has a role as a human xenobiotic metabolite and a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,3-dihydroxybenzoate.