Gentisic acid

• Formula: C₅H₁₁NO₂
• Molecular weight: 117.1463
• IUPAC Standard InChI: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) Copy

  
• IUPAC Standard InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N Copy
• CAS Registry Number: 490-79-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Benzoic acid, 2,5-dihydroxy-; Gensigen; Gensigon; Hydroquinonecarboxylic acid; 2,5-Dihydroxybenzoic acid; 2,5-Dioxybenzoic acid; 5-Hydroxysalicylic acid; Gentisate; Salicylic acid, 5-hydroxy-; 2,5-Dhba; Kyselina 2,5-dihydroxybenzoova; Kyselina gentisinova; 3,6-Dihydroxybenzoic acid; Gentisinic acid; NSC 27224
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)

Proton affinity at 298K

De-protonation reactions

C₇H₅O₄^- +  =

By formula: C₇H₅O₄^- + H⁺ = C₅H₁₁NO₂

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kuo, Zhang, et al., 1997
Kuo, S.C.; Zhang, Z.Y.; Ross, S.K.; Klemm, R.B.; Johnson, R.D.; Monks, P.S.; Thorn, R.P.; Stief, L.J., Discharge flow-photoionization mass spectrometric study of HNO: Phtoionization efficiency spectrum and ionization energy and proton affinity of NO, J. Phys. Chem. A, 1997, 101, 4035. [all data]

Breuker, Knochenmuss, et al., 1999
Breuker, K.; Knochenmuss, R.; Zenobi, R., Gas-phase basicities of deprotonated matrix-assisted laser desorption/ionization matrix molecules, Int. J. Mass Spectrom., 1999, 184, 1, 25-38, https://doi.org/10.1016/S1387-3806(98)14200-8 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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