Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
1,2,3,6-Tetrahydro-3-methylphthalic anhydride 5333-84-6 95332
Structure Other Information
Canonical SMILES CC1C=CCC2C1C(=O)OC2=O
Iso SMILES CC1C=CCC2C1C(=O)OC2=O
InChI InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3
InChI Key XPEKVUUBSDFMDR-UHFFFAOYSA-N
Formula C9H10O3
Mol Weight 166.174
XlogP3 1.1
Charge 0

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