Basic information
- CAS
4687-38-1- Standard SMILES
CCOC(=O)C(C(=O)c1ccccc1)C(C(=O)OCC)C(=O)c1ccccc1- InChIKey
LNKDGSQQKJLYEV-UHFFFAOYSA-N- Molecular formula
- C22H22O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.14163842
Names & identifiers
- Preferred name
- Diethyl 2,3-dibenzoylsuccinate
- IUPAC
- diethyl 2,3-dibenzoylbutanedioate
- English name
- Butanedioic acid, 2,3-dibenzoyl-, 1,4-diethyl ester
- Molecular formula
- C22H22O6
- Molecular weight
- 382.41
Names & synonyms
Diethyl 2,3-dibenzoylsuccinatediethyl 2,3-dibenzoylbutanedioate1,4-Diethyl 2,3-dibenzoylbutanedioateSCHEMBL27715083LNKDGSQQKJLYEV-UHFFFAOYSA-NDTXSID6012885504687-38-1Butanedioic acid, 2,3-dibenzoyl-, 1,4-diethyl ester
Database identifiers
- CAS
4687-38-1- PubChem CID
- 570232
- DTXSID
DTXSID601288550- Nikkaji
- J1.393.027I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Chemistry & industry
Suppliers1 total
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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