Basic information
- CAS
3047-65-2- Standard SMILES
CCCCCCC(=O)CC=CCCCCCCCC(=O)OC- InChIKey
DIPHDXIHMQRKSX-UHFFFAOYSA-N- Molecular formula
- C19H34O3
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.25079494
Names & identifiers
- Preferred name
- Methyl 12-oxooctadec-9-enoate
- IUPAC
- methyl 12-oxooctadec-9-enoate
- English name
- 9-Octadecenoic acid, 12-oxo-, methyl ester, (9Z)-
- Molecular formula
- C19H34O3
- Molecular weight
- 310.47
Names & synonyms
methyl 12-oxooctadec-9-enoate3047-65-2DTXSID10274896RefChem:353457DTXCID80226347Methyl 12-oxo-octadec-9-enoateRicinoleic Acid Impurity 1METHYL (9Z)-12-OXO-9-OCTADECENOATE9-Octadecenoic acid, 12-oxo-, methyl ester, (9Z)-
Database identifiers
- CAS
3047-65-2- PubChem CID
- 30587
- DTXSID
DTXSID10274896
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 145 °C · 145 °C(Press: 0.05 Torr)
- Density
- 0.922 · 0.922±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesMethyl (Z)-12-oxooctadec-9-enoate is an ester product.
Suppliers3 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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