HBA

P-HYDROXYBENZALDEHYDE

Created:	1999-07-08
Last modified:	2011-06-04

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23 entries where HBA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of HBA

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Chemical Component Summary
Name	P-HYDROXYBENZALDEHYDE
Systematic Name (OpenEye OEToolkits)	4-hydroxybenzaldehyde
Formula	C₇ H₆ O₂
Molecular Weight	122.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc1ccc(O)cc1
SMILES	CACTVS	3.341	Oc1ccc(C=O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(C=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=O)O
InChI	InChI	1.03	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey	InChI	1.03	RGHHSNMVTDWUBI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03560
Name	P-Hydroxybenzaldehyde
Groups	experimental
Synonyms	P-Hydroxybenzaldehyde
Categories	Aldehydes
CAS number	123-08-0

Related Resource References

Resource Name	Reference
PubChem	126
ChEMBL	CHEMBL14193
ChEBI	CHEBI:17597
CCDC/CSD	PHBALD11, PHBALD10
COD	2217204

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