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

OXE

Summary
Name:ORTHO-XYLENE
Formula:C8 H10
Formal charge:0
Formula weight:106.165 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,2-dimethylbenzene
OpenEye OEToolkits1.5.01,2-dimethylbenzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c1cccc(c1C)C
SMILES_CANONICALCACTVS3.341Cc1ccccc1C
SMILESCACTVS3.341Cc1ccccc1C
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccccc1C
SMILESOpenEye OEToolkits1.5.0Cc1ccccc1C
InChIInChI1.03InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKeyInChI1.03CTQNGGLPUBDAKN-UHFFFAOYSA-N

227111

数据于2024-11-06公开中

PDB statisticsPDBj update infoContact PDBjnumon