Tetrahydro-1H-5,9-methanopyrano(3,4-d)oxepine-1,3,6,8(4H)-tetrone

C₁₀H₈O₆CAS 6053-46-9224.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₆
Molar mass: 224.17 g/mol
Exact mass: 224.0321 Da
logP: -0.59Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6053-46-9

SMILES

C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O

InChIKey

QVEIRZNRYOJFCL-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O6/c11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12/h3-5,7H,1-2H2

Weigh it out

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Names and synonyms

1 names

3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic acid 1,4:2,3-dianhydride

Work with Tetrahydro-1H-5,9-methanopyrano(3,4-d)oxepine-1,3,6,8(4H)-tetrone

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

Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone6053-68-561 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-055 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-350 % similar Methylsuccinic anhydride4100-80-541 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-840 % similar Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone4415-87-639 % similar Carbic anhydride129-64-638 % similar Himic anhydride2746-19-238 % similar

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

Elsewhere

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