AG003BBS

31982-85-1 | (3aS,7aS)-Hexahydroisobenzofuran-1,3-dione

AG003BBS

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CAS Number	31982-85-1
Catalog Number	AG003BBS(AGN-PC-0O8VLA)
Chemical Name	(3aS,7aS)-Hexahydroisobenzofuran-1,3-dione
EC Number	238-009-9
IUPAC Name	(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m0/s1
InChI Key	MUTGBJKUEZFXGO-WDSKDSINSA-N
MDL Number	MFCD00674195
Molecular Formula	C8H10O3
Molecular Weight	154.1632
SMILES	O=C1OC([C@@]2([H])CCCC[C@@]21[H])=O
Synonyms	31982-85-1, (-)-trans-1,2-Cyclohexanedicarboxylic Anhydride, (3aS,7aS)-Hexahydroisobenzofuran-1,3-dione, 14166-21-3, 1,3-Isobenzofurandione, hexahydro-, (3aS-trans)-, (+)-trans-1,2-Cyclohexanedicarboxylic Anhydride, trans-1,2-Cyclohexanedicarboxylic anhydride, trans-Cyclohexane-1,2-dicarboxylic anhydride, trans-Hexahydrophthalic anhydride, (3aR,7AS)-hexahydroisobenzofuran-1,3-dione, PubChem8094, SCHEMBL45910, CTK4C2740, DTXSID20482884, MUTGBJKUEZFXGO-WDSKDSINSA-N, ANW-20635, MFCD00674195, ZINC100008305, FCH1122337, FS-6438, KS-000013N8, trans-1,2-Cyclohexanedicarboxylicanhydride, AX8042956, DB-042579, TC-109380, TR-013499, FT-0659322, trans-1,2-cyclohexane dicarboxylic anhydride, trans-1,2-cyclohexanedi-carboxylic anhydride, (3aS,7aS)-octahydro-2-benzofuran-1,3-dione, 1alpha,2beta-Cyclohexanedicarboxylic anhydride, (-)-trans-1,2-CyclohexanedicarboxylicAnhydride, (3aS,7aS)-Hexahydro-2-benzofuran-1,3-dione, (-)-Trans-1 2-Cyclohexanedicarboxylic Anhydride, trans-1,2-cyclohexanedicarboxylic acid anhydride, (+)-trans-Cyclohexane-1,2-dicarboxylic anhydride, (+/-)trans-1,2-cyclohexanedicarboxylic anhydride, trans-1,2-Cyclohexanedicarboxylic anhydride, 97%, trans-cyclohexane-1,2-dicarboxylic acid anhydride, J-018586, 1,3-Isobenzofurandione,hexahydro-, (3aR,7aR)-rel-, (-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE 98+%, trans-1,2-Cyclohexanedicarboxylic anhydride, analytical reference material, trans-Hexahydroisobenzofuran-1,3-dione, EINECS 238-009-9, C8-H10-O3, cis-Hexahydroisobenzofuran-1,3-dione, CB10518, cis-1,2-Cyclohexanedicarboxylic anhydride, 1,3-Isobenzofurandione, hexahydro-, trans-, -TRANS-1,2-CYCLOHEXANEDICARBOXYLICANHYDRIDE, (+/-)-trans-1,2-Cyclohexanedicarboxylic Anhydride, 71749-03-6, 13149-00-3,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	154.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.165g/mol
Monoisotopic Mass	154.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H317-H318-H334
Packing Group	Ⅱ
Precautionary statements	P261-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P310-P501
UN Code	UN 2927

Certificate of Analysis

Lot Number