4-Hydroxy pelargonic acid
Basic information
- CAS
7779-53-5- Standard SMILES
CCCCCC(O)CCC(=O)O- InChIKey
IKOSQCITEZUTOE-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Overview
4-Hydroxypelargonic acid is a carbonyl compound.
Names & identifiers
- Preferred name
- 4-Hydroxy pelargonic acid
- IUPAC
- 4-hydroxynonanoic acid
- English name
- 4-Hydroxynonanoic acid
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
4-hydroxy-nonanoic acid4-hydroxy pelargonic acidRefChem:10707264-Hydroxynonanoic acid7779-53-5Nonanoic acid, 4-hydroxy-4-hydroxypelargonic acidSCHEMBL1546272DTXSID40998977CHEBI:165411LMFA01050026AKOS010914536
Database identifiers
- CAS
7779-53-5- PubChem CID
- 134653
- DTXSID
DTXSID40998977- ChEBI
CHEBI:165411- Nikkaji
- J262.014F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Boiling point
- 204 °C · 204 °C(Press: 25 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-Hydroxypelargonic acid is a carbonyl compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…