chempirical

2,2-Dimethyl cyclopropyl carboxylic acid

C6H10O2CAS 75885-59-5114.14 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
logP
1.12Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
75885-59-5
SMILES
CC1(CC1C(=O)O)C
InChIKey
BFNMOMYTTGHNGJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)

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Names and synonyms

1 names
  • 2,2-Dimethylcyclopropane-1-carboxylic acid

Work with 2,2-Dimethyl cyclopropyl carboxylic 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

2,2-Difluorocyclopropane-1-carboxylic acid107873-03-050 % similar 2,2-Dimethylcyclopropanecarboxamide1759-55-350 % similar (+)-2,2-Dimethylcyclopropanecarboxamide75885-58-450 % similar 3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy2154-68-947 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-444 % similar 3-Hydroxy-2-(trifluoromethyl)propenoic acid382-43-442 % similar d-Camphoric acid124-83-442 % similar Camphoric acid560-09-842 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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