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-Indanone

Graphical representations:

2-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: C1C(=O)CC2=CC=CC=C21

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

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
indan-2-one

PUBCHEM iupac CAS NAME
2-indanone

PubChem Substance (SID):   85165295   155294   10529875
PubChem Compound (CID):   11983
KEGG: Compound ID   C07727
CAS Registry IDs:   615-13-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 146692_ALDRICH   ChEBI CHEBI:27930   ZINC ZINC00897211   ChemIDplus 000615134   UM-BBD c0402   ChemSpider 13856681   EINECS 210-410-3   NMRShiftDB 10170   Beilstein Handbook Reference 4-07-00-01002   ChemDB 6680967   NIST Chemistry WebBook 3157127394   MMCD cq_04658   MDL MFCD00003792

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.