Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone

C₉H₆O₆CAS 6053-68-5210.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆O₆
Molar mass: 210.14 g/mol
Exact mass: 210.0164 Da
logP: -0.98Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

6053-68-5

SMILES

O=C1OC(=O)C2C1CC1C(=O)OC(=O)C12

InChIKey

NLWBEORDOPDUPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-5H,1H2

Weigh it out

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

Names and synonyms

4 names

1H-Cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone, tetrahydro-
1,2,3,4-Cyclopentanetetracarboxylic 1,2:3,4-dianhydride
1,2,3,4-Cyclopentanetetracarboxylic acid dianhydride
1,2,3,4-Cyclopentanetetracarboxylic dianhydride

Work with Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-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

3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-374 % similar Tetrahydro-1H-5,9-methanopyrano(3,4-d)oxepine-1,3,6,8(4H)-tetrone6053-46-961 % similar Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone4415-87-658 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-857 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-352 % similar (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-152 % similar Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-552 % similar trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-652 % similar

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

Same formula

Trimellitic acid528-44-9 Trimesic acid554-95-0 Hemimellitic acid569-51-7

Elsewhere

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