BZJ

3-hydroxynaphthalene-2-carboxylic acid

Created:	2017-09-06
Last modified:	2018-09-12

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4 entries where BZJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of BZJ

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Chemical Component Summary
Name	3-hydroxynaphthalene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	3-oxidanylnaphthalene-2-carboxylic acid
Formula	C₁₁ H₈ O₃
Molecular Weight	188.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1c(cc2c(c1)cccc2)O)(O)=O
SMILES	CACTVS	3.385	OC(=O)c1cc2ccccc2cc1O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(c(cc2c1)C(=O)O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc2ccccc2cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(c(cc2c1)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKey	InChI	1.03	ALKYHXVLJMQRLQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7104
ChEMBL	CHEMBL229301
ChEBI	CHEBI:80383
CCDC/CSD	EXAPUP, HNAPAC01, KIGKOB04, XAQXIY, KIGKOB02, KIGKOB03, LICJUD, ABULEQ, KIGKOB05, GEHROB, IGESAQ, KIGKOB01, BOMHOC, KIGKOB, FAFFEZ, HNAPAC, ICOVEF
COD	2201559, 2015340

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.