Basic information
- CAS
6963-40-2- Standard SMILES
CCOCCOC(=O)CC(C)=O- InChIKey
JKUOURUUCRHADD-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Names & identifiers
- Preferred name
- 2-Ethoxyethyl acetoacetate
- IUPAC
- 2-ethoxyethyl 3-oxobutanoate
- English name
- 2-ethoxyethyl acetoacetate
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19436
Names & synonyms
2-ethoxyethyl 3-oxobutanoate2-Ethoxyethyl acetoacetate6963-40-2EINECS 230-160-9ethoxyethyl acetoacetateAI3-06509SCHEMBL768824DTXSID90989739NSC53776NSC 53776NSC-53776Butanoic acid, 3-oxo-,2-ethoxyethyl ester
Show more names
3-Oxobutyric acid 2-ethoxyethyl ester
DS-010570Butanoic acid, 3-oxo-, 2-ethoxyethyl esterNS00043735
Database identifiers
- CAS
6963-40-2- PubChem CID
- 81413
- DTXSID
DTXSID90989739- EC Number
- 230-160-9
- Nikkaji
- J266.004K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- LogP
- 0.218 · 0.218 (est)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
5 records
Compound notes
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