AG003JS1

5333-84-6 | 4-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione

AG003JS1

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CAS Number	5333-84-6
Catalog Number	AG003JS1(AGN-PC-006QPI)
Chemical Name	4-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
EC Number	226-247-6
IUPAC Name	4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
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
MDL Number	MFCD00014585
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=C1OC(C2C(C)C=CCC21)=O
Synonyms	5333-84-6, 4-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride, 1,2,3,6-Tetrahydro-3-methylphthalic anhydride, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-, Maleic anhydride and 1,3-pentadiene adduct, NSC 2352, 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride, 4-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-, cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride, MFCD00014585, 4-methyl-4,7,3a,7a-tetrahydroisobenzofuran-1,3-dione, EINECS 226-247-6, ACMC-1CU8C, 3-Methyl-delta-4-tetrahydrophthalic anhydride, EC 226-247-6, AC1L3U2R, 35438-82-5, 4-Cyclohexene-1, 3-methyl-, SCHEMBL1473414, DTXSID6058710, NSC2352, XPEKVUUBSDFMDR-UHFFFAOYSA-N, ACN-S005197, ALBB-025915, NSC-2352, NSC87811, ZX-AN024428, ANW-31710, FCH916827, NSC-87811, NSC154772, SBB056327, AKOS006230751, MCULE-9194849346, NSC-154772, RP10360, TRA0014038, 1, 3a,4,7,7a-tetrahydro-4-methyl-, AK-88848, SC-19923, SY038938, TC-120455, 1,3,6-Tetrahydro-3-methylphthalic anhydride, 3-Methyl-1,3,6-tetrahydrophthalic anhydride, 4CH-011670, FT-0619042, M1190, R1304, ST24023605, ST45021467, Y1170, 3-Methyl-DELTA4-tetrahydrophthalic Anhydride, methyltetrahydrophthalic anhydride, AldrichCPR, MFCD00014585 (95%), 3-Methyl-.delta.4-tetrahydrophthalic anhydride, 3-Methyl-.delta.-4-tetrahydrophthalic anhydride, 3-Methyl-.delta.(4)-tetrahydrophthalic anhydride, C-36762, I14-2299, Methyltetrahydrophthalic anhydride (mixture of isomers), 3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione, 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride, 95% 5g, 4-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #, 4-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione, 3-Methyltetrahydrophthalic anhydride, 3-MTHPA, Methyltetrahydrophthalic anhydride, Tetrahydromethyl-1,3-isobenzofurandione, C9H10O3, 3-Methyltetrahydrophthalic anhydrid, CID95332, C9-H10-O3, ACN-035062, 11070-44-3, Methylcyclohexene-1,2-dicarboxylic Anhydride, 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride, 95% 1g, METHYLCYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE (MIXTURE OF ISOMERS),

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H317-H319-H334
Packing Group	Ⅲ
Precautionary statements	P261-P264-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P337+P313-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number