Summary

Molecular formula: C9H8O4
SMILES: OC(=O)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Cinnamic acids and derivatives
Sub class: Hydroxycinnamic acids and derivatives

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Synonymous chemical names:
caffeic acid

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External chemical identifiers:
CID_689043; CAS_331-39-5; CHEMSPIDER_600426; ZINC_ZINC000000058172; Molport_MolPort-000-742-954

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Chemical structure download