Dodecanoic acid, 10-oxo-
Basic information
- CAS
673-85-8- Standard SMILES
CCC(=O)CCCCCCCCC(=O)O- InChIKey
DWYPQNGEJSYCSO-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Names & identifiers
- Preferred name
- Dodecanoic acid, 10-oxo-
- IUPAC
- 10-oxododecanoic acid
- English name
- 10-Ketolauric acid
- Molecular formula
- C12H22O3
- Molecular weight
- 214.3
Names & synonyms
673-85-8Dodecanoic acid, 10-oxo-RefChem:135440DWYPQNGEJSYCSO-UHFFFAOYSA-N10-Oxododecanoic acidMFCD2447978910-Oxododecanoic acid #DTXSID501313073AKOS037645133AS-57466D94101F844272
Show more names
10-Oxolauric acid10-Ketolauric acid
Database identifiers
- CAS
673-85-8- PubChem CID
- 545976
- DTXSID
DTXSID501313073- Nikkaji
- J206.136H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 109.5 · 109.5-111.5 °C
- Boiling point
- 364.1 · 364.1±25.0 °C(Predicted)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
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Compound notes
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