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Substance Name: gamma-Resorcylic acid
RN: 303-07-1
UNII: RSA5G6VRPV
InChIKey: AKEUNCKRJATALU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.1204
 
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Names and Synonyms

Name of Substance

  • gamma-Resorcylic acid

Synonyms

  • 2,6-Dihydroxybenzoesaeure
  • 2,6-Dihydroxybenzoesaeure [IUPAC]
  • 2,6-Dihydroxybenzoic acid
  • 2,6-Resorcylic acid
  • 2-Carboxyresorcinol
  • 4-10-00-01456 (Beilstein Handbook Reference)
  • 6-Hydroxysalicylic acid
  • BRN 2209755
  • EINECS 206-134-8
  • gamma-Resorcylsaeure
  • NSC 49172
  • UNII-RSA5G6VRPV

Systematic Names

  • 2,6-Dihydroxybenzoic acid
  • Benzoic acid, 2,6-dihydroxy-
  • gamma-Resorcylic acid (8CI)

Registry Numbers

CAS Registry Number

  • 303-07-1

FDA UNII

  • RSA5G6VRPV

System Generated Number

  • 0000303071

Structure Descriptors

InChI

1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)

InChIKey

AKEUNCKRJATALU-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)O)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse LD50 intravenous > 600mg/kg (600mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1392, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 165 dec deg C   EXP
pKa Dissociation Constant 1.051 (none) 25 EXP
log P (octanol-water) 2.2 (none)   EXP
Water Solubility 9560 mg/L   EXP
Vapor Pressure 2.10E-06 mm Hg 25 EST
Henry's Law Constant 1.86E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.