Basic information
- CAS
2382-40-3- Standard SMILES
CCC=CCCCCCCCC(=O)O- InChIKey
FKLSONDBCYHMOQ-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 9-Dodecenoic acid
- IUPAC
- dodec-9-enoic acid
- English name
- 9-Dodecenoicacid
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
9-DODECENOIC ACIDDTXSID3013164332382-40-3CHEBI:38375RefChem:1074964DTXCID301746282dodec-9-enoic acidSCHEMBL246717FKLSONDBCYHMOQ-UHFFFAOYSA-NXAA03247Q271176649-Dodecenoicacid
Database identifiers
- CAS
2382-40-3- PubChem CID
- 16940
- DTXSID
DTXSID301316433
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 9.63 °C · 9.63°C (estimate)
- Boiling point
- 321.28 °C · 321.28°C (estimate)
- Density
- 0.9176 · 0.9176 (rough estimate)
- refractive index
- 1.4426 · 1.4426 (estimate)
Chemistry & industry
Suppliers1 total
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
Additional notes
DefinitionChEBI: A dodecenoic acid having its double bond in the 9-position.
Related reactions
6 records
Compound notes
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