Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1ON

Summary
Name:2,3-dihydro-1H-inden-1-one
Synonyms:1-indanone
Formula:C9 H8 O
Formal charge:0
Formula weight:132.159 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-dihydro-1H-inden-1-one
OpenEye OEToolkits1.7.62,3-dihydroinden-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1ccccc1CC2
InChIInChI1.03InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyInChI1.03QNXSIUBBGPHDDE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C1CCc2ccccc12
SMILESCACTVS3.370O=C1CCc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)CCC2=O
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)CCC2=O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon