AG00I579

2746-19-2 | 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-

AG00I579

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CAS Number	2746-19-2
Catalog Number	AG00I579(AGN-PC-0R39P0)
Chemical Name	4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-
IUPAC Name	(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI	InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
InChI Key	KNDQHSIWLOJIGP-RNGGSSJXSA-N
MDL Number	MFCD00630580
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	O=C2OC([C@]1([H])[C@@](C3)([H])C=C[C@@]3([H])[C@]12[H])=O
UNII	N1KQO6559B
Synonyms	himic anhydride, 2746-19-2, cis-5-Norbornene-exo-2,3-dicarboxylic anhydride, (3aR,4R,7S,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione, Himic anhydride, UNII-N1KQO6559B, N1KQO6559B, norborn-5-ene-2exo,3exo-dicarboxylic acid anhydride, cis-5-Norbornene-exo-2,3-dicarboxylic anhydride, 95%, NSC 110659, exo-3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)- (9CI), exo-5-Norbornene-2,3-dicarboxylic anhydride, 129-64-6, EXO-CIS-HIMIC ANHYDRIDE, endicanhydride, MFCD00630580, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-, AK-87960, EINECS 220-384-5, AC1LCUZH, SCHEMBL4940217, (3aR,4R,7S,7AS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione, KNDQHSIWLOJIGP-RNGGSSJXSA-N, BCP04730, ZINC8100956, AKOS015999001, AC-8833, CS-W008293, FCH1122285, RP10303, AS-18256, BC677577, AB0023901, ST24026226, W5055, 746N192, Q-101138, Cis-5-Norbornene-exo-2,3-Dicarboxylicanhydride,99%, 5-Norbornene-2,3-dicarboxylic anhydride, cis-exo- (8CI), Di-exo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.0?,?]dec-8-ene-3,5-dione, (1R,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 3beta,5beta-Etheno-1alpha,2alpha-cyclopentanedicarboxylic anhydride, (1alpha,2alpha,3beta,6beta)-1,2,3,6-Tetrahydro-3,6-methanophthalicanhydride, 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-, rel-(3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione, InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7, C9H8O3, C9-H8-O3, CID637794, ACN-031853, CB10408, Exo-cis-5-Norbornene-2,3-dicarboxylic anhydride, 5-Norbornene-2,3-dicarboxylic anhydride, cis-exo-, exo-7-oxabicyclo[2.2.1]heptene-2,3-dicarboxylic anhydride, (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione, cis-5-Norbornene-exo-2,3-dicarboxylic anhydride, 96% - 1G 1g, (1alpha,2alpha,3beta,6beta)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-, 826-62-0,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number