DBJ

2,3-dihydro-1,4-benzodioxin-5-ylmethanol

Created:	2012-04-11
Last modified:	2013-01-25

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2 entries where DBJ 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	6

2D diagram of DBJ

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Chemical Component Summary
Name	2,3-dihydro-1,4-benzodioxin-5-ylmethanol
Systematic Name (OpenEye OEToolkits)	2,3-dihydro-1,4-benzodioxin-5-ylmethanol
Formula	C₉ H₁₀ O₃
Molecular Weight	166.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1c2c(OCC1)cccc2CO
SMILES	CACTVS	3.370	OCc1cccc2OCCOc12
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2c(c1)OCCO2)CO
Canonical SMILES	CACTVS	3.370	OCc1cccc2OCCOc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2c(c1)OCCO2)CO
InChI	InChI	1.03	InChI=1S/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2
InChIKey	InChI	1.03	WATIARBIFSKYKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776182
CCDC/CSD	EPAFUX
COD	1519792

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