2-Nonenoic acid
Properties
- Molecular formula
- C9H16O2
- Molar mass
- 156.22 g/mol
- Exact mass
- 156.1150 Da
- Density
- 0.9345 g/mL (at 17.1 °C)
- Melting point
- 0–1 °C
- Boiling point
- 220–223 °C
- logP
- 2.60Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation96.9% of notifiers
- H319 Causes serious eye irritation96.9% of notifiers
- H335 May cause respiratory irritation96.9% of notifiers
Aggregated from 1,419 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3760-11-0SMILES
CCCCCCC=CC(=O)OInChIKey
ADLXTJMPCFOTOO-UHFFFAOYSA-NInChI
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 32357
Work with 2-Nonenoic 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
Dodec-2-enoic acid32466-54-9100 % similar
trans-2-Decenoic acid334-49-6100 % similar
trans-2-Decenoic acid72881-27-7100 % similar
trans-2-Octenoic acid1871-67-696 % similar
2-Hexenoic acid1191-04-471 % similar
trans-2-Hexenoic acid13419-69-771 % similar
10-Hydroxy-2-decenoic acid14113-05-465 % similar
10-Hydroxy-2-decenoic acid765-01-565 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.