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Secondary metabolite: 1-(3-Formylphenyl)-ethanone
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C9H8O2
SMILES:
O=Cc1cccc(c1)C(=O)C
InChI:
InChI=1S/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H3
InChIKey:
QVNFUJVNBRCKNJ-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:
1-(3-formylphenyl)-ethanone
External chemical identifiers:
CID_643436
;
CAS_41908-11-6
;
NPATLAS_NPA006924
;
CHEMSPIDER_558581
;
ZINC_ZINC000002563910
;
Molport_MolPort-003-936-876
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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