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

ACN

Summary
Name:ACETONE
Formula:C3 H6 O
Formal charge:0
Formula weight:58.079 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02propan-2-one
OpenEye OEToolkits1.6.1propan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(C)C
SMILES_CANONICALCACTVS3.352CC(C)=O
SMILESCACTVS3.352CC(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(=O)C
SMILESOpenEye OEToolkits1.7.0CC(=O)C
InChIInChI1.03InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKeyInChI1.03CSCPPACGZOOCGX-UHFFFAOYSA-N

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon