BMRB

Biological Magnetic Resonance Data Bank


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

4-Acetoxy benzoic acid

4-Acetoxy benzoic acid synonyms

4-Acetoxy benzoic acid

Wikipedia:

Graphical representations:

4-Acetoxy benzoic acid image

Molecular Formula: C9 H8 O4

Natural Isotopic Abundance Mass: 180.15742

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0422587452
  • C13N14: 189.0724522854
  • C12N15: 180.0422587452
  • C13N15: 189.0724522854

InCHi String: InChI=1/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)/f/h11H

Canonical and Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)C(O)=O

Beilstein
4-Acetoxy benzoic acid

PubChem Substance (SID):   111678009
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 208
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.