chempirical

1,1-Cyclobutanedicarboxylic acid

C6H8O4CAS 5445-51-2144.13 g/mol

Open in Covalent MOL file
OHOOHO
Carboxylic acid

Properties

Molecular formula
C6H8O4
Molar mass
144.13 g/mol
Exact mass
144.0423 Da
Melting point
1457–1458.5 °C (decomposes)
logP
0.33Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
5445-51-2
SMILES
O=C(O)C1(C(=O)O)CCC1
InChIKey
CCQPAEQGAVNNIA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

3 names
  • 1,1-Dicarboxycyclobutane
  • 1-Carboxycyclobutanecarboxylic acid
  • NSC 22073

Reactions

Work with 1,1-Cyclobutanedicarboxylic 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

1,1-Cyclopropanedicarboxylic acid598-10-778 % similar Dipropylmalonic acid1636-27-761 % similar 1-Aminocyclobutanecarboxylic acid22264-50-254 % similar 2,2-Diethylpropanedioic acid510-20-352 % similar 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-350 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-048 % similar Cycloleucine52-52-848 % similar 1-Aminocyclohexanecarboxylic acid2756-85-646 % similar

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

Same formula

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-6 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-6 D-Lactide13076-17-0 Meldrum'S acid2033-24-1 Methyl β-acetylpyruvate20577-61-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7

Elsewhere

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