Basic information
- CAS
74503-09-6- Standard SMILES
CCOCCOC(=O)C(=O)Cl- InChIKey
KIIBSVQBAWITKR-UHFFFAOYSA-N- Molecular formula
- C6H9ClO4
- Average molar mass
- 180.58 g/mol
- Monoisotopic mass
- 180.0189365
Names & identifiers
- Preferred name
- 2-Ethoxyethyl chloro(oxo)acetate
- IUPAC
- 2-ethoxyethyl 2-chloro-2-oxoacetate
- English name
- 2-ethoxyethyl 2-chloro-2-oxoacetate(WXG01671)
- Molecular formula
- C6H9ClO4
- Molecular weight
- 180.59
Names & synonyms
74503-09-62-Ethoxyethyl chloro(oxo)acetateSCHEMBL9203552DTXSID805456062-ethoxyethyl 2-chloro-2-oxoacetate2-ethoxyethyl 2-chloro-2-oxoacetate(WXG01671)Acetic acid, 2-chloro-2-oxo-, 2-ethoxyethyl ester
Database identifiers
- CAS
74503-09-6- PubChem CID
- 13637409
- DTXSID
DTXSID80545606
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 209.2 · 209.2±23.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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