BZX

1,3-benzodioxol-5-ol

Created:	2010-09-28
Last modified:	2011-06-04

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3 entries where BZX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of BZX

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Chemical Component Summary
Name	1,3-benzodioxol-5-ol
Systematic Name (OpenEye OEToolkits)	1,3-benzodioxol-5-ol
Formula	C₇ H₆ O₃
Molecular Weight	138.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1c2ccc(O)cc2OC1
SMILES	CACTVS	3.370	Oc1ccc2OCOc2c1
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1O)OCO2
Canonical SMILES	CACTVS	3.370	Oc1ccc2OCOc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1O)OCO2
InChI	InChI	1.03	InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey	InChI	1.03	LUSZGTFNYDARNI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68289
ChEMBL	CHEMBL1517998
ChEBI	CHEBI:9126

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.