AG003MZ6

73003-90-4 | 6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione

AG003MZ6

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CAS Number	73003-90-4
Catalog Number	AG003MZ6(AGN-PC-0JNDH4)
Chemical Name	6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione
EC Number	277-212-7
IUPAC Name	5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
InChI	InChI=1S/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3
InChI Key	DGQOZCNCJKEVOA-UHFFFAOYSA-N
MDL Number	MFCD00039141
Molecular Formula	C13H12O6
Molecular Weight	264.2308
SMILES	O=C1OC(C2C(C)=CC(C(C3)C(OC3=O)=O)CC21)=O
Synonyms	73003-90-4, 5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic Anhydride, 6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione, 1,3-Isobenzofurandione, 3a,4,5,7a-tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxo-3-furanyl)-, 5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylicanhydride, 5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione, EINECS 277-212-7, ACMC-209op2, AC1L41HJ, SCHEMBL262346, CTK3J8280, KS-000016SR, ANW-36276, MFCD00039141, AKOS015855816, MCULE-5332478343, RTR-023763, 3a,4,5,7a-Tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxofuran-3-yl)isobenzofuran-1,3-dione, 5-(2,5-Diketotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride, 96231-11-7, AS-49391, U191, DB-055714, TR-023763, D1901, FT-0619571, ST24033083, C-50842, 5-(2,5-dioxotetrahydrofuran-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione, 5-(2,5-dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic acid anhydride, 5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2dicarboxylic anhydride, 6-(2,5-DIOXOOXOLAN-3-YL)-4-METHYL-3A,6,7,7A-TETRAHYDROISOBENZOFURAN-1,3-DIONE, UNII-281D83AH5V, C13H12O6, 281D83AH5V, CID175380, C13-H12-O6, B-4400, 6- -4-methyl-3a,6,7,7a-tetrahydroisobenzofuran-1,3-dione, 5- -3-METHYL-3-CYCLOHEXENE-1,2-DICARBOXYLICANHYDRIDE, 4,5-dihydro-5-(tetrahydro-2,5-dioxofuran-3-yl)-7-methylisobenzofuran-1,3(3aH,7aH)-dione,

Complexity	531
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.063g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.233g/mol
Monoisotopic Mass	264.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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