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Secondary metabolite: 2,5-Dihydroxyacetophenone
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C8H8O3
SMILES:
Oc1ccc(c(c1)C(=O)C)O
InChI:
InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKey:
WLDWSGZHNBANIO-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organic oxygen compounds
Class:
Organooxygen compounds
Sub class:
Carbonyl compounds
Synonymous chemical names:
2,5-dihydroxyacetophenone
External chemical identifiers:
CID_10279
;
CAS_490-78-8
;
CHEMSPIDER_9859
;
ZINC_ZINC000000164902
;
Molport_MolPort-000-424-695
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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