3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
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Formula: C12H14O4
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Molecular weight: 222.24
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Smiles: CC1CC2=C(C(=C(C=C2C)OC)O)C(=O)O1
3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
Names
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Mycotoxin name: 3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
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First synonym: 3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
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Synonyms: 3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin,538376-75-9,1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-7-methoxy-3,5-dimethyl- (9CI),DTXSID50472874
Identifiers / External links
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CAS: 538376-75-9
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PubChem CID: 11790777
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ChemSpiderID: 552933
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CompTox Chemicals Dashboard (DTXSID): DTXSID50472874
Structure
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Smiles: CC1CC2=C(C(=C(C=C2C)OC)O)C(=O)O1
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Isomeric smiles: CC1CC2=C(C(=C(C=C2C)OC)O)C(=O)O1
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Inchi: InChI=1S/C12H14O4/c1-6-4-9(15-3)11(13)10-8(6)5-7(2)16-12(10)14/h4,7,13H,5H2,1-3H3
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Inchikey: LBKKWDZRPZHFNQ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C12H14O4
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Molecular weight: 222.24
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Monoisotopic mass: 222.08920892
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Fungi
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Fungi id Species 426 Cytospora eucalypticola