Bicyclo[2.2.2]octane-1,4-dicarboxylic acid

C10H14O4CAS 711-02-4198.22 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acid

Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
logP
1.50Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
711-02-4
SMILES
C1CC2(CCC1(CC2)C(=O)O)C(=O)O
InChIKey
KVOACUMJSXEJQT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)

Weigh it out

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

Work with Bicyclo[2.2.2]octane-1,4-dicarboxylic acid

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

Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-178 % similar 1,3,5,7-Adamantanetetracarboxylic acid100884-80-867 % similar Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid56842-95-667 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-960 % similar 1,1-Cyclopropanedicarboxylic acid598-10-758 % similar 3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-857 % similar 1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-152 % similar 1,1-Cyclobutanedicarboxylic acid5445-51-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 2,3,4-Trimethoxy-6-methylphenol39068-88-7

Elsewhere

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