4-Pentynoic acid
Properties
- Molecular formula
- C5H6O2
- Molar mass
- 98.10 g/mol
- Exact mass
- 98.0368 Da
- Melting point
- 57.7 °C
- Boiling point
- 98 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
6089-09-4SMILES
C#CCCC(=O)OInChIKey
MLBYLEUJXUBIJJ-UHFFFAOYSA-NInChI
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Propargylacetic acid
Work with 4-Pentynoic 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
5-Hexynoic acid53293-00-875 % similar
6-Heptynoic acid30964-00-272 % similar
10-Undecynoic acid2777-65-369 % similar
17-Octadecynoic acid34450-18-569 % similar
Succinic acid110-15-652 % similar
Glutaric acid110-94-148 % similar
Adipic acid124-04-948 % similar
Pimelic acid111-16-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds