OXE

ORTHO-XYLENE

Created:	1999-07-08
Last modified:	2024-09-27

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4 entries where OXE is found as a standalone ligand4 entries where OXE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of OXE

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Chemical Component Summary
Name	ORTHO-XYLENE
Systematic Name (OpenEye OEToolkits)	1,2-dimethylbenzene
Formula	C₈ H₁₀
Molecular Weight	106.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1cccc(c1C)C
SMILES	CACTVS	3.341	Cc1ccccc1C
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccccc1C
Canonical SMILES	CACTVS	3.341	Cc1ccccc1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccccc1C
InChI	InChI	1.03	InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey	InChI	1.03	CTQNGGLPUBDAKN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL45005
PubChem	7237
ChEMBL	CHEMBL45005
ChEBI	CHEBI:28063
CCDC/CSD	FUPKIN, LITXES, LITZAQ, PAZCUR, EZAZUC, MERLIE, MERPAA, MERMIF, OHUBIC, NAGMEP, DOFXOL, MECWEZ, MICMUH, FEYZEQ, QOSLOB, LOWJUC, JIVROV, NEJRAX, NEFKEP, HALVOF, HALVOF10, NAPCOY, MENVUZ, ETOFOK, OGODOD, MIRGUQ, NUDCEX, MUKJUA, LIRWOZ, IFOSOO, QOWDIP, NEJQUQ, BOWBIA, CEMNUD, ABUVOM, ABUQOH, ARAHEJ, DAFDIB, ATOZIV, ALABUN

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.