Basic information
- CAS
2575-07-7- Standard SMILES
COC(=O)CCCCCCCC(C)=O- InChIKey
HBEFOKAECCZCNW-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Methyl 9-oxodecanoate
- IUPAC
- methyl 9-oxodecanoate
- English name
- 9-Ketocapric acid methyl ester
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
METHYL 9-OXODECANOATE2575-07-7Decanoic acid, 9-oxo-, methyl esterDTXSID70180429NSC 54844RefChem:356504DTXCID30102920HBEFOKAECCZCNW-UHFFFAOYSA-N9-Ketocapric acid methyl esterMethyl 9-oxodecanoate #SCHEMBL6821595SCHEMBL9863497
Show more names
9-Oxodecanoic acid methyl ester8-Acetylcaprylic acid methyl ester
9-oxo-decanoic acid methyl esterNSC54844Decanoic acid, 9-oxo-,methyl esterNSC-54844DS-010751
Database identifiers
- CAS
2575-07-7- PubChem CID
- 17399
- DTXSID
DTXSID70180429- Nikkaji
- J117.513K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 151 · 151-153 °C(Press: 16 Torr)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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