0R0

2-hydroxybenzonitrile

Created:	2012-04-21
Last modified:	2020-06-05

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4 entries where 0R0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of 0R0

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Chemical Component Summary
Name	2-hydroxybenzonitrile
Synonyms	2-Cyanophenol
Systematic Name (OpenEye OEToolkits)	2-oxidanylbenzenecarbonitrile
Formula	C₇ H₅ N O
Molecular Weight	119.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccccc1O
SMILES	CACTVS	3.370	Oc1ccccc1C#N
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)C#N)O
Canonical SMILES	CACTVS	3.370	Oc1ccccc1C#N
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)C#N)O
InChI	InChI	1.03	InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKey	InChI	1.03	CHZCERSEMVWNHL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11907
ChEMBL	CHEMBL195342
CCDC/CSD	TICRUS, TICRUS01

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.