Basic information
- CAS
28393-00-2- Standard SMILES
CCCCCCCCC#CC#CCCCCCCCCC(=O)O- InChIKey
NBZNZQNWYUMMBZ-UHFFFAOYSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.25588032
Names & identifiers
- Preferred name
- 10,12-Heneicosadiynoic acid
- IUPAC
- henicosa-10,12-diynoic acid
- English name
- 10,12-HENEICOSADIYNOIC ACID
- Molecular formula
- C21H34O2
- Molecular weight
- 318.49
Names & synonyms
28393-00-2Henicosa-10,12-diynoic Acid10,12-HENEICOSADIYNOIC ACIDSCHEMBL455799DTXSID6043153310,12-HENEICOSADIYNOIC ACID, 98%,10,12-HENEICOSADIYNOIC ACID, 98%10,12-HENEICOSADIYNOIC ACID, 98%10,12-HENEICOSADIYNOIC ACID, 98%10,12-HENEICOSADIYNOIC ACID, 98%
Database identifiers
- CAS
28393-00-2- PubChem CID
- 9836680
- DTXSID
DTXSID60431533
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Boiling point
- 474.6 · 474.6±28.0 °C(Predicted)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Chemistry & industry
Suppliers2 total
GFS化学品公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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