Basic information
- CAS
102540-71-6- Standard SMILES
CCCCC(=O)CC(=O)C(=O)OCC- InChIKey
XVWFJKVWKCCZME-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- Ethyl 2,4-dioxooctanoate
- IUPAC
- ethyl 2,4-dioxooctanoate
- English name
- Ethyl 2,4-dioxooctanoate
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
Ethyl 2,4-dioxooctanoate102540-71-6DTXSID60451271RefChem:342242DTXCID50402090Ethyl2,4-dioxooctanoateEthyl 2,4-dioxooctanateSCHEMBL1577640XVWFJKVWKCCZME-UHFFFAOYSA-NMFCD08700412SBB082405AKOS004115490
Show more names
2,4-Dioxo-octanoic acid ethyl esterOctanoic acid, 2,4-dioxo-, ethyl ester
DA-16207SY355585
Database identifiers
- CAS
102540-71-6- PubChem CID
- 10998024
- DTXSID
DTXSID60451271
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 138 · 138-139 °C(Press: 13 Torr)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 6.82 · 6.82±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
Related reactions
5 records
Compound notes
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