JZ0

o-cresol

Created:	2009-06-15
Last modified:	2020-06-05

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4 entries where JZ0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of JZ0

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Chemical Component Summary
Name	o-cresol
Synonyms	ortho-cresol,2-methylphenol
Systematic Name (OpenEye OEToolkits)	2-methylphenol
Formula	C₇ H₈ O
Molecular Weight	108.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Cc1ccccc1O
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1O
Canonical SMILES	CACTVS	3.352	Cc1ccccc1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1ccccc1O
InChI	InChI	1.03	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey	InChI	1.03	QWVGKYWNOKOFNN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	335
ChEMBL	CHEMBL46931
ChEBI	CHEBI:28054
CCDC/CSD	OCRSOL01, YAWDIK, KOXDUZ, LAWWAI, GAPWID, MOWDUZ07, MOWDUZ08, MOWDUZ, MOWDUZ09, KUCGAS, OCRSOL, MOWDUZ10, OCRSOL02, KUCGIA
COD	7200374, 7200375

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.