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Home Other Building Blocks 3A,4,7,7A-Tetrahydroisobenzofuran-1,3-dione

3A,4,7,7A-Tetrahydroisobenzofuran-1,3-dione

CAS No.:
85-43-8
Catalog Number:
AG0035XV
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$52
- +
10g
98%
1 week
United States
$59
- +
25g
98%
1 week
United States
$66
- +
100g
98%
1 week
United States
$107
- +
Product Description
Catalog Number:
AG0035XV
Chemical Name:
3A,4,7,7A-Tetrahydroisobenzofuran-1,3-dione
CAS Number:
85-43-8
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00065335
IUPAC Name:
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
InChI Key:
KMOUUZVZFBCRAM-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C=CCC2
RTECS Number:
GW5775000
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis, crystal structure and biological activities of a novel amidrazone derivative and its copper(II) complex--a potential antitumor drug. Journal of inorganic biochemistry 20120901
Mono- and bis-quinidine organocatalysts in the asymmetric methanolysis of cis-1,2,3,6-tetrahydrophthalic anhydride: a conformational and mechanistic NMR study. Chirality 20111001
Antinociceptive effects of tetrahydrophthalimides and related compounds. Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101
Application of polyethylene glycol-based aqueous biphasic reactive extraction to the catalytic oxidation of cyclic olefins. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040725
Properties