chempirical

Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid

C7H8O4CAS 56842-95-6156.14 g/mol

Open in Covalent MOL file
OOHOHO
Carboxylic acid

Properties

Molecular formula
C7H8O4
Molar mass
156.14 g/mol
Exact mass
156.0423 Da
logP
0.33Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
56842-95-6
SMILES
C1C2(CC1(C2)C(=O)O)C(=O)O
InChIKey
SBLRPOGZAJTJEG-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O4/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H,8,9)(H,10,11)

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Names and synonyms

1 names
  • Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

Work with Bicyclo(1.1.1)pentane-1,3-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

1,3,5,7-Adamantanetetracarboxylic acid100884-80-8100 % similar Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-178 % similar Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-467 % similar 1,3-Adamantanedicarboxylic acid39269-10-861 % similar 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate83249-10-960 % similar 3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-857 % similar 1-Adamantanecarboxylic acid828-51-352 % similar Dimethylmalonic acid595-46-050 % similar

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

Same formula

Dimethyl penta-2,3-dienedioate1712-36-3 3,5-Dioxocyclohexanecarboxylic acid42858-60-6 Maleic anhydride-methyl vinyl ether copolymer9011-16-9

Elsewhere

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