Basic information
- CAS
3398-75-2- Standard SMILES
CCCCCCCCCC(=O)[O-]- InChIKey
GHVNFZFCNZKVNT-UHFFFAOYSA-M- Molecular formula
- C10H19O2-
- Average molar mass
- 171.26 g/mol
- Monoisotopic mass
- 171.13850485
Names & identifiers
- Preferred name
- Decanoic acid, ion(1-)
- IUPAC
- decanoate
Names & synonyms
Decanoic acid, ion(1-)3398-75-2RefChem:336752decanoatecapratecaprinaten-decanoatecaprynatedecoatedecylaten-capraten-decoate
Show more names
n-decylate1-nonanecarboxylatedecanoate, 2nC9H19CO2 anion3nq33u9qBDBM23433CHEBI:27689
Database identifiers
- CAS
3398-75-2- PubChem CID
- 4678093
- DTXSID
DTXSID401314266- ChEBI
CHEBI:27689- Nikkaji
- J367.325A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 105
Related reactions
5 records
Compound notes
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