Cyclobutanecarboxylic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 1.047 g/mL (at 420 °C)
- Melting point
- −2 °C
- Boiling point
- 190 °C
- logP
- 0.87Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
3721-95-7SMILES
O=C(O)C1CCC1InChIKey
TXWOGHSRPAYOML-UHFFFAOYSA-NInChI
InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclobutylcarboxylic acid
- Cyclobutane-1-carboxylic acid
- NSC 4535
- Cyclobutanoic acid
Work with Cyclobutanecarboxylic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Cyclopentanecarboxylic acid3400-45-189 % similar
Cycloheptanecarboxylic acid1460-16-884 % similar
Cyclohexanecarboxylic acid98-89-584 % similar
1,3-Cyclohexanedicarboxylic acid3971-31-180 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-778 % similar
1,4-Cyclohexanedicarboxylic acid619-81-878 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-978 % similar
2-Hexyldecanoic acid25354-97-664 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds