9EW

1,2-benzoxazol-3-ol

Created:	2017-05-15
Last modified:	2017-06-14

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2 entries where 9EW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of 9EW

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Chemical Component Summary
Name	1,2-benzoxazol-3-ol
Systematic Name (OpenEye OEToolkits)	1,2-benzoxazol-3-ol
Formula	C₇ H₅ N O₂
Molecular Weight	135.12
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1noc2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(no2)O
Canonical SMILES	CACTVS	3.385	Oc1noc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(no2)O
InChI	InChI	1.03	InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey	InChI	1.03	QLDQYRDCPNBPII-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL444173
PubChem	210830
ChEMBL	CHEMBL444173
CCDC/CSD	BUPXOC

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.