Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
1,2,3,6-Tetrahydromethylphthalic anhydride / Methyltetrahydrophthalic anhydride (MTHPA)	42498-58-8	198243

Structure

Other Information

Canonical SMILES	CC12CC=CCC1C(=O)OC2=O
Iso SMILES	CC12CC=CCC1C(=O)OC2=O
InChI	InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3
InChI Key	SOOZEQGBHHIHEF-UHFFFAOYSA-N
Formula	C9H10O3
Mol Weight	166.174
XlogP3	1.1
Charge	0

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Synonyms Information

CAS Name	7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name	7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
Openeye Name	7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
Systematic Name	7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
Tratitional Name	7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione