AG003QKG

6118-51-0 | (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione

AG003QKG

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CAS Number	6118-51-0
Catalog Number	AG003QKG(AGN-PC-0SZ7TN)
Chemical Name	(3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
IUPAC Name	(1R,2S,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI	InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+
InChI Key	QQYNRBAAQFZCLF-FBXFSONDSA-N
MDL Number	MFCD00151506
Molecular Formula	C8H6O4
Molecular Weight	166.1308
SMILES	O=C1OC([C@@]2([H])[C@](O3)([H])C=C[C@]3([H])[C@]21[H])=O
Synonyms	6118-51-0, (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride, exo-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione, MFCD00151506, AK-88744, AC1LAHJO, SCHEMBL236915, ZINC8100963, AKOS015894267, CS-W014305, FCH1121365, BP-13157, DS-18513, ST24020420, I04-9774, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride, 98%, 4,10-Dioxa-tricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride treated BSA, (1R,2S,6R,7S)-4,10-dioxatricyclo[5.2.1.0?,?]dec-8-ene-3,5-dione, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride treated bovine serum albumin, ETPA, Furan-maleic anhydride adduct, ACN-S005184, C8-H6-O4, CID513915, AI3-32678, AI 3-32678, EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALICANHYDRIDE, exo-7-oxabicyclo[2.2.1]heptene-2,3-dicarboxylic anhydride, 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, exo-, 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione, 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-, 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-, DTHKSEIAHRFKDLGEEQFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQDCCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	166.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.132g/mol
Monoisotopic Mass	166.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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