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- ChemComp-HBA: P-HYDROXYBENZALDEHYDE -

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Basic information

EntryDatabase: PDB chemical components / ID: HBA
NameName: P-hydroxybenzaldehyde

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Chemical information

Composition
Formula: C7H6O2 / Number of atoms: 15 / Formula weight: 122.121 / Formal charge: 0
Others

1oyb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HBA / Model coordinates PDB-ID: 1OYB
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=Cc1ccc(O)cc1
CACTVS 3.341Oc1ccc(C=O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O

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SMILES CANONICAL

CACTVS 3.341Oc1ccc(C=O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O

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InChI

InChI 1.03InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

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InChIKey

InChI 1.03RGHHSNMVTDWUBI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-hydroxybenzaldehyde
OpenEye OEToolkits 1.5.04-hydroxybenzaldehyde

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