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
Hazards
Danger
- H302 Harmful if swallowed37.5% of notifiers
- H312 Harmful in contact with skin37.5% of notifiers
- H314 Causes severe skin burns and eye damage98.1% of notifiers
- H318 Causes serious eye damage50% of notifiers
- H332 Harmful if inhaled37.5% of notifiers
Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
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 acid26764-36-384 % similar
Cycloundecanecarboxylic acid831-67-484 % similar
Cyclohexanecarboxylic acid98-89-584 % similar
cis-1,3-Cyclohexanedicarboxylic acid2305-31-980 % similar
1,3-Cyclohexanedicarboxylic acid3971-31-180 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-778 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.