2,3-Dihydroxybenzoic acid
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2,3-Dihydroxybenzoic acid
structure -
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CAS No:
303-38-8
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Formula:
C7H6O4
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Chemical Name:
2,3-Dihydroxybenzoic acid
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Synonyms:
Benzoic acid,2,3-dihydroxy-;o-Pyrocatechuic acid;2,3-Dihydroxybenzoic acid;Catecholcarboxylic acid;3-Hydroxysalicylic acid;Pyrocatechuic acid;NSC 27435;1,2-Dihydroxybenzene-3-carboxylic acid
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CAS No:
Description
Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
Solid
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 derives from a benzoic acid. It is a conjugate acid of a 2,3-dihydroxybenzoate.
2,3-Dihydroxybenzoic acid Basic Attributes
154.12
154.12
206-139-5
70D5FBB392
27435
DTXSID70858712
2918290000
Characteristics
77.8
1.2
Solid
1.6±0.1 g/cm3
204 °C
362.5°C at 760 mmHg
187.2±21.6 °C
1.671
Soluble in water, methanol and dimethyl sulfoxide.
2-8°C
2.91(at 25 °C)
2.91 (at 25 °C)
118.42 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|120.9 Ų [M-H]-
Safety Information
NONH for all modes of transport
2
R36/37/38
S26-S36-S37/39
DG8576490
Xi:Irritant
P261-P305 + P351 + P338
H315-H319-H335
Drug Information
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)
2,3-dihydroxy benzoic acid
2,3-Dihydroxybenzoic acid Use and Manufacturing
2,3-Dihydroxybenzoic Acid is a selected phenol as MMP (Matrix Metalloproteinase) inhibitor.
Computed Properties
Molecular Weight:154.12
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:154.02660867
Monoisotopic Mass:154.02660867
Topological Polar Surface Area:77.8
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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