BMRB

Biological Magnetic Resonance Data Bank


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

2-Hydroxyethyl Salicylate

Graphical representations:

2-Hydroxyethyl salicylate image

Molecular Formula: C9 H10 O4

Natural Isotopic Abundance Mass: 182.1733

Mono-Isotopic Molecular Masses:

  • C12N14: 182.0579088094
  • C13N14: 191.0881023496
  • C12N15: 182.0579088094
  • C13N15: 191.0881023496

InCHi String: InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2

canonical and isomeric SMILES: C1=CC=C(C(=C1)C(=O)OCCO)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
2-hydroxyethyl 2-hydroxybenzoate

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac CAS NAME
2-hydroxybenzoic acid 2-hydroxyethyl ester

PUBCHEM iupac SYSTEMATIC NAME
2-hydroxyethyl 2-oxidanylbenzoate

PubChem Substance (SID):   111677879   149883   87691507
PubChem Compound (CID):   6880
KEGG: Compound ID   D01557
CAS Registry IDs:   87-28-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 87-28-5   MMCD cq_09318   EINECS 201-737-2   NMRShiftDB 20200174   ChemDB 6679968   ChemIDplus 000087285   NIST Chemistry WebBook 1296367682

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.