chempirical

1,2,3,6-Tetrahydrophthalic anhydride

C8H8O3CAS 85-43-8152.15 g/mol

Open in Covalent MOL file
OOO
Acid anhydrideAlkene

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Density
1.2 g/mL (at 105 °C)
Melting point
102 °C
Boiling point
195 °C (at 50 Torr)
logP
0.65Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
85-43-8
SMILES
O=C1OC(=O)C2CC=CCC12
InChIKey
KMOUUZVZFBCRAM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

21 names · show all
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
  • 4-Cyclohexene-1,2-dicarboxylic anhydride
  • 3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione
  • Maleic anhydride-butadiene adduct
  • δ4-Tetrahydrophthalic anhydride
  • Tetrahydrophthalic anhydride
  • Tetrahydrophthalic acid anhydride
  • 4-Cyclohexene-1,2-dicarboxylic acid anhydride
  • 1,2,3,6-Tetrahydrophthalic acid anhydride
  • Rikacid TH
  • Cyclohexene-4,5-dicarboxylic anhydride
  • Rikacid THPA
  • NSC 82642
  • KBH 1098
  • HK 019
  • B 570H
  • THPA
  • Epiclon B 570H
  • Tetrahydroisobenzofuran-1,3-dione
  • 1,3,3a,4,7,7a-Hexahydro-2-benzofuran-1,3-dione
  • Anhydride 70

Work with 1,2,3,6-Tetrahydrophthalic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrahydrophthalic anhydride935-79-5100 % similar Diglycidyl tetrahydrophthalate21544-03-659 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-857 % similar 3-Methyltetrahydrophthalic anhydride5333-84-653 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-352 % similar Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-552 % similar Hexahydrophthalic anhydride85-42-752 % similar Isomethyltetrahydrophthalic anhydride3425-89-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

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