Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Phthalaldehydic Acid

Phthalaldehydic synonyms

3-Hydroxyphthalide; 2-Carboxybenzaldehyde; 2-Formylbenzoic acid


Graphical representations:


View large 3D structure

Molecular Formula: C8H6O3

Natural Isotopic Abundance Mass: 150.13144

Mono-Isotopic Molecular Masses:

  • C12N14: 150.0316940589
  • C13N14: 158.0585327613
  • C12N15: 150.0316940589
  • C13N15: 158.0585327613

InChI string: InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)

PubChem Compound (CID): 16211212
Sigma-Aldrich: 116017_ALDRICH
ChemSpider: 17339253

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,