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5,7-dihydroxy-4-methylphthalide

  • Formula: C9H8O4

  • Molecular weight: 180.16

  • Smiles: CC1=C2COC(=O)C2=C(C=C1O)O

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5,7-dihydroxy-4-methylphthalide

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 5,7-dihydroxy-4-methylphthalide

  • First synonym: 5,7-dihydroxy-4-methylphthalide

  • Synonyms: 5,7-dihydroxy-4-methylphthalide,27979-57-3,5,7-Dihydroxy-4-methylisobenzofuran-1(3H)-one,5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-one,Mycophenolic Acid Impurity,5,7-Dihydroxy-4-methyl-1(3H)-isobenzofuranone,Phthalide, 5,7-dihydroxy-4-methyl-,UNII-EH1U60N12M,EH1U60N12M,CHEBI:68194,4-Methyl-5,7-dihydroxyisobenzofuran-1(3H)-one,1(3H)-Isobenzofuranone, 5,7-dihydroxy-4-methyl-,CHEMBL575424,SCHEMBL3505368,DTXSID60561066,BCP13320,EX-A1306,MFCD09955111,ZINC13334976,AKOS006314750,F17399,5,7-Dihydroxy-4-methyl-2-benzofuran-1(3H)-one,A876815,Q27136687,5,7-dihydroxy-4-methyl-1,3-dihydro-2-benzofuran-1-one,Mycophenolic Acid Impurity;5,7-Dihydroxy-4-methyl-1(3H)-isobenzofuranone;4-Methyl-5,7-dihydroxyisobenzofuran-1(3H)-one

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Structure

  • Smiles: CC1=C2COC(=O)C2=C(C=C1O)O

  • Isomeric smiles: CC1=C2COC(=O)C2=C(C=C1O)O

  • Inchi: InChI=1S/C9H8O4/c1-4-5-3-13-9(12)8(5)7(11)2-6(4)10/h2,10-11H,3H2,1H3

  • Inchikey: GXYQICKPCCBIIX-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C9H8O4

  • Molecular weight: 180.16

  • Monoisotopic mass: 180.04225873

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