AG003O6R

6708-37-8 | 3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

AG003O6R

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CAS Number	6708-37-8
Catalog Number	AG003O6R(AGN-PC-0A790V)
Chemical Name	3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione
EC Number	246-171-7
IUPAC Name	4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
InChI	InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2
InChI Key	YIHKILSPWGDWPR-UHFFFAOYSA-N
MDL Number	MFCD00011122
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C1OC(C2C3C=CC(CC3)C21)=O
Synonyms	6708-37-8, 3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione, Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, 24327-08-0, YIHKILSPWGDWPR-UHFFFAOYSA-N, 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride, 4-oxatricyclo[5.2.2.0<2,6>]undec-8-ene-3,5-dione, 3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione, t566/fk 2ae k bvov gutj&&endo form, ACMC-209nxo, AC1Q1HAC, AC1L59LJ, KSC498C7J, SCHEMBL351863, endo-Bicyclo[2.2.2]octenedicarboxcyclic acid anhydride, CTK3J8174, KS-00000OVI, YIHKILSPWGDWPR-UHFFFAOYSA-, bicyclooctenedicarboxylic anhydride, NSC4556, ACT09352, Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-, NSC-4556, ANW-35290, BBL035845, MFCD00151124, MFCD06796361, NSC238003, SBB007646, STK281548, AKOS000365294, LS20762, MCULE-9103372368, NSC-238003, Bicyclo[2.2.2]oct-5-ene-2, endo-, 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-, AK-78899, BR-78899, DS-17522, ST088550, SY024434, Bicyclo[2.2.2]oct-5-ene-2, cis-endo-, DB-026263, RT-004282, B3038, FT-0698790, ST24022984, W7771, MFCD06796361 (97%), S-1453, bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic anhydride, 4-oxatricyclo[5.2.2.0(2),]undec-8-ene-3,5-dione, 4-oxatricyclo[5.2.2.0?,?]undec-8-ene-3,5-dione, 4-Oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-Oxatricyclo[5.2.2.02,6]undeca-8-ene-3,5-dione, bicyclo[2.2.2]-oct-5-en-2,3-dicarboxylic anhydride, Bicyclo[2.2.2]octene-2,3-endo-dicarboxylic anhydride, 4-Oxa-tricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-oxatricyclo[5.2.2.0(2),?]undec-8-ene-3,5-dione, 3,6-Endoethylene-4-cyclohexene-1,2-dicarboxylic anhydride, 4-oxatricyclo[5.2.2.0^{2,6}]undec-8-ene-3,5-dione, 4-OXATRICYCLO[5.2.2.0(2,6)]UNDEC-8-ENE-3,5-DIONE, endo-5-bicyclo[2.2.2] octene-2,3-dicarboxylic acid anhydride, ENDO-BICYCLO(2.2.2)-5-OCTENE-2,3-DICARBO ANHYDRIDE, Bicyclo[2.2.2]-5-octene-2,3-dicarboxylic anhydride, endo isomer, InChI=1/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2, C10H10O3, EINECS 246-171-7, AR-1L5802, CID220977, C10-H10-O3, endo-Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, Bicyclo[2.2.2]-5-octene-2,3-dicarboxylic anhydride, endo-Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic anhydride, (3aR,4R,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione, 4,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-, 7780-34-9,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number