Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
1,2,3,6-Tetrahydro-4-methylphthalic anhydride 3425-89-6 98496
Structure Other Information
Canonical SMILES CC1=CCC2C(C1)C(=O)OC2=O
Iso SMILES CC1=CCC2C(C1)C(=O)OC2=O
InChI InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
InChI Key OEMSKMUAMXLNKL-UHFFFAOYSA-N
Formula C9H10O3
Mol Weight 166.174
XlogP3 0.7
Charge 0

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Synonyms Information
CAS Name 5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
IUPAC Name 5-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
Openeye Name 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Systematic Name 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Tratitional Name 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione