chempirical

3,4,5,6-Tetrahydrophthalic anhydride

C8H8O3CAS 2426-02-0152.15 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
Melting point
74 °C
Boiling point
145–155 °C (at NaN Torr)
logP
0.94Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
2426-02-0
SMILES
O=C1OC(=O)C2=C1CCCC2
InChIKey
HMMBJOWWRLZEMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2

Weigh it out

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

Names and synonyms

12 names
  • 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-
  • 1-Cyclohexene-1,2-dicarboxylic anhydride
  • 4,5,6,7-Tetrahydro-1,3-isobenzofurandione
  • 3,4,5,6-Tetrahydrophthalic acid anhydride
  • δ1-Tetrahydrophthalic anhydride
  • 1-Cyclohexene-1,2-dicarboxylic acid anhydride
  • Tetrahydrophthalic anhydride
  • NSC 11211
  • NSC 61333
  • Rikacid HT 1A
  • 4,5,6,7-Tetrahydro-isobenzofuran-1,3-dione
  • 1,3,4,5,6,7-Hexahydro-2-benzofuran-1,3-dione

Work with 3,4,5,6-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

Adipic anhydride2035-75-843 % similar 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione4720-86-941 % similar Glutaric anhydride108-55-438 % similar 2,3-Dihydro-1,4-dithiino[2,3-C]furan-5,7-dione10489-75-538 % similar Dichloromaleic anhydride1122-17-436 % similar Dimethylmaleic anhydride766-39-236 % similar 1,2-Cyclohexanedione765-87-735 % similar Succinic anhydride108-30-533 % 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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