Diethyl 2-(hydroxymethylidene)-3-oxobutanedioate
Basic information
- CAS
105151-40-4- Standard SMILES
CCOC(=O)C(=O)C(=CO)C(=O)OCC- InChIKey
HRYNWXGBSHIESR-UHFFFAOYSA-N- Molecular formula
- C9H12O6
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.0633881
Names & identifiers
- Preferred name
- Diethyl 2-(hydroxymethylidene)-3-oxobutanedioate
- IUPAC
- diethyl 2-(hydroxymethylidene)-3-oxobutanedioate
Names & synonyms
SCHEMBL8832385DTXSID301230021diethyl 2-(hydroxymethylidene)-3-oxobutanedioate1,4-Diethyl 2-(hydroxymethylene)-3-oxobutanedioate105151-40-4
Database identifiers
- CAS
105151-40-4- PubChem CID
- 73677985
- DTXSID
DTXSID301230021
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 291
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…