AG003DAH

935-79-5 | (3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione

AG003DAH

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CAS Number	935-79-5
Catalog Number	AG003DAH(AGN-PC-0W35OS)
Chemical Name	(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
IUPAC Name	(3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+
InChI Key	KMOUUZVZFBCRAM-OLQVQODUSA-N
MDL Number	MFCD00005916
Molecular Formula	C8H8O3
Molecular Weight	152.1473
NSC Number	49672
SMILES	O=C1OC([C@]2([H])CC=CC[C@@]21[H])=O
UN Number	2698
UNII	W9Q4666NOS
Synonyms	935-79-5, cis-1,2,3,6-Tetrahydrophthalic anhydride, cis-4-Cyclohexene-1,2-dicarboxylic anhydride, (3aR,7aS)-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, UNII-W9Q4666NOS, cis-3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione, NSC49672, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis-, (3aR,7aS)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, W9Q4666NOS, KMOUUZVZFBCRAM-OLQVQODUSA-N, MFCD00005916, rel-(3aR,7aS)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, EN300-95023, (3aS,7aR)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, TETRAHYDROPHTHALIC ANHYDRIDE, Tetrahydrophthalic anhydride, cis-, EINECS 213-308-7, NSC 49672, (R,R)-Cyclohex-4-ene-1,2-dicarboxylic anhydride, AI3-23866, tetrahydrophthalsaureanhydrid, AC1Q6H6L, KSC493Q3T, SCHEMBL169099, AC1L407N, CHEMBL2228342, CTK3J3839, 51268-23-6, KS-00000E6C, ZINC8382264, ANW-40074, NSC-49672, 1,2,3,6-TetrahydrophthalicAnhydride, 1, 3a,4,7,7a-tetrahydro-, cis-, AKOS015904395, FCH1120158, RP10022, RTR-026708, cis-1,2,3,6-Tetrahydrophthalicanhydride, AK-75776, AN-48080, BBV-39692514, BC681071, CC-25824, M183, DB-050508, DB-057412, ST2407989, TR-026708, (cis)-1,2,3,6-tetrahydrophthalic anhydride, cis-1,2,3,6-tetrahydrophtalic acid anhydride, cis-1,2,3,6-tetrahydrophthalic acid anhydride, cis-3a,7,7a-Tetrahydro-1,3-isobenzofurandione, M-9786, cis-1,2,3,6-Tetrahydrophthalic anhydride, 95%, Cyclohexene-4alpha,5alpha-dicarboxylic anhydride, cis-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, cis-4-cyclohexene-1,2-dicarboxylic acid anhydride, W-100238, I14-16474, I14-17347, 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione, (Z)-, (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, C8H8O3, C8-H8-O3, CID98495, AR-1I2372, 1,2,3,6-Tetrahydrophthalic anhydride, 85-43-8, cis-4-Cyclohexene-1,2-dicarboxylic anhydride, 95% 250g, cis-1,2,3,6-Tetrahydrophthalic anhydride, 98% - 2.5KG 2.5kg, 99414-60-5,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	152.047g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.149g/mol
Monoisotopic Mass	152.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H318-H413
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number