AG007O57

13149-00-3 | 1,​3-​Isobenzofurandione, hexahydro-​, (3aR,​7aS)​-​rel-

AG007O57

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CAS Number	13149-00-3
Catalog Number	AG007O57(AGN-PC-0PJHDL)
Chemical Name	1,​3-​Isobenzofurandione, hexahydro-​, (3aR,​7aS)​-​rel-
IUPAC Name	(3aR,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+
InChI Key	MUTGBJKUEZFXGO-OLQVQODUSA-N
MDL Number	MFCD00005926
Molecular Formula	C8H10O3
Molecular Weight	154.1632
SMILES	O=C1[C@@H]2[C@H](C(=O)O1)CCCC2
UNII	B52Z7TNV87
Synonyms	13149-00-3, cis-1,2-Cyclohexanedicarboxylic anhydride, cis-Hexahydroisobenzofuran-1,3-dione, cis-Hexahydrophthalic anhydride, UNII-B52Z7TNV87, cis-Cyclohexane-1,2-dicarboxylic anhydride, B52Z7TNV87, 1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-, (3aR,7aS)-hexahydro-2-benzofuran-1,3-dione, (3aR,7AS)-hexahydroisobenzofuran-1,3-dione, Hexahydrophthalic anhydride, cis-, cis-1,2-Cyclohexanedicarboxylic anhydride, 99%, 14166-21-3, EINECS 236-086-3, trans-1,2-Cyclohexanedicarboxylic anhydride, 1,3-Isobenzofurandione, hexahydro-, cis-, AI3-05984, AC1LD3CE, SCHEMBL34170, KSC490Q1F, Jsp001903, CTK3J0812, MUTGBJKUEZFXGO-OLQVQODUSA-N, BB_SC-06439, ANW-19316, cis-Hexahydro-1,3-isobenzofurandione, MFCD00005926, ZINC43641115, AKOS016010286, FCH1120160, MCULE-5802669356, RP10091, RTR-004314, (cis)-hexahydroisobenzofuran-1,3-dione, cis-1,2-Cyclohexanecarboxylic anhydride, cis-1,2-Cyclohexanedicarboxylicanhydride, KS-0000127X, cis-1,2-cyclohexanedicarboxyic anhydride, 1,2-cis-cyclohexanedicarboxylic anhydride, AK116727, BBV-39692521, cis-1,2-cyclohexane-dicarboxyic anhydride, M187, SC-95027, cis-1,2-cyclohexane dicarboxylic anhydride, cis-1,2-cyclohexane-dicarboxylic anhydride, cis-1,2-cyclohexanedicar-boxylic anhydride, AB0015101, DB-042035, TR-004314, cis-3-Oxabicyclo[3.4.0]nonane-2,4-dione, FT-0623877, racemic cis-hexahydroisobenzofuran-1,3-dione, ST24030267, cis-1,2-cyclohexanedicarboxylic acid anhydride, cis-cyclohexan-1,2-dicarboxylic acid anhydride, cis-cyclohexane-1,2-dicarboxylic acid anhydride, EN300-120136, (+/-)-trans-1,2-CyclohexanedicarboxylicAnhydride, 1,3-isobenzofurandione, hexahydro-, (3aR,7aS)-, rel-(3aR,7aS)-hexahydro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione,hexahydro-, (3aR,7aS)-rel-, (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione, 1,2-Cyclohexanedicarboxylic anhydride, predominantly cis, 95%, cis-1,2-Cyclohexanecarboxylic anhydride, analytical reference material, InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6, cis-cyclohexane-1,2-dicarboxylicacidanhydride, (3aR,7aS)-Hexahydro-isobenzofuran-1,3-dione, 3aa,4,5,6,7,7aa-Hexahydroisobenzofuran-1,3-dione, Lekutherm Hardener H, C8H10O3, 13-Isobenzofurandione hexahydro-cis-, C8-H10-O3, CID641660, trans-Hexahydroisobenzofuran-1,3-dione, cis-1 2-Cyclohexanedicarboxylic anhydride, (3aR,7aR)-hexahydroisobenzofuran-1,3-dione, 1,2-Cyclohexanedicarboxylic anhydride, cis-, Hexahydrophthalic anhydride, 99% - 1KG 1kg, 12-Cyclohexanedicarboxylic anhydride cis-(8CI), cis-Cyclohexane-1 2-dicarboxylic acid anhydride, rel-(3aR 7aS)-Hexahydroisobenzofuran-1 3-dione, 1,3-Isobenzofurandiona, hexahidro, (3AR, 7AS)-rel-,

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
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number