A1BDW

(1,4-phenylene)dimethanol

Created:	2024-10-18
Last modified:	2024-11-27

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1 entries where A1BDW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of A1BDW

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Chemical Component Summary
Name	(1,4-phenylene)dimethanol
Systematic Name (OpenEye OEToolkits)	[4-(hydroxymethyl)phenyl]methanol
Formula	C₈ H₁₀ O₂
Molecular Weight	138.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OCc1ccc(CO)cc1
SMILES	CACTVS	3.385	OCc1ccc(CO)cc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ccc1CO)CO
Canonical SMILES	CACTVS	3.385	OCc1ccc(CO)cc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ccc1CO)CO
InChI	InChI	1.06	InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey	InChI	1.06	BWVAOONFBYYRHY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11506
ChEMBL	CHEMBL4536209

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