Basic information
- CAS
14113-02-1- Standard SMILES
CCOC(=O)CCCCCCC(=O)Cl- InChIKey
ZKXJSBHGOFAICL-UHFFFAOYSA-N- Molecular formula
- C10H17ClO3
- Average molar mass
- 220.69 g/mol
- Monoisotopic mass
- 220.0866221
Names & identifiers
- Preferred name
- Octanoic acid, 8-chloro-8-oxo-, ethyl ester
- IUPAC
- ethyl 8-chloro-8-oxooctanoate
- English name
- ethyl 7-chloro-7-formylheptanoate
- Molecular formula
- C10H17ClO3
- Molecular weight
- 220.69318
Names & synonyms
14113-02-1Ethyl 7-chloro-7-formylheptanoateOctanoic acid, 8-chloro-8-oxo-, ethyl esterRefChem:1093817237-969-6Ethyl 8-chloro-8-oxooctanoate8-Chloro-8-oxooctanoic acid ethyl esterSCHEMBL4570296DTXSID80930997Ethyl 8-chloro-8-oxooctanoate #Ethyl 7-(Chlorocarbonyl)heptanoateEINECS 237-969-6
Show more names
DA-20191Octanoic acid, 8-[(2-hydroxyethyl)amino]-, 1-octylnonyl ester, ethanedioate (1:1)
Database identifiers
- CAS
14113-02-1- PubChem CID
- 84205
- DTXSID
DTXSID80930997- EC Number
- 237-969-6
- Nikkaji
- J216.872C
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 180
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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