BMRB

Biological Magnetic Resonance Data Bank


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

Indanone

Graphical representations:

Indanone image

Molecular Formula: C9 H8 O

Natural Isotopic Abundance Mass: 132.15922

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0575148789
  • C13N14: 141.0877084191
  • C12N15: 132.0575148789
  • C13N15: 141.0877084191

InCHi String:

canonical and isomeric SMILES: C1CC(=O)C2=CC=CC=C21

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
2,3-dihydroinden-1-one

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
indan-1-one

PUBCHEM iupac CAS NAME
1-indanone

PubChem Substance (SID):   85165279   4672   14709030
PubChem Compound (CID):   6735
KEGG: Compound ID   C01504
CAS Registry IDs:   83-33-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich I2304_ALDRICH   ChEBI CHEBI:17404   UM-BBD c0395   ChemSpider 11398330   NMRShiftDB 21130   DTP/NCI 2581   NIST Chemistry WebBook 1906806737   MMCD cq_00984   MDL MFCD00003785

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.