Diethyl 3,3-dicyanopentanedioate
Basic information
- CAS
77415-69-1- Standard SMILES
CCOC(=O)CC(C#N)(C#N)CC(=O)OCC- InChIKey
ATCRXJYHZSNQFI-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- Diethyl 3,3-dicyanopentanedioate
- IUPAC
- diethyl 3,3-dicyanopentanedioate
- English name
- Pentanedioic acid, 3,3-dicyano-, 1,5-diethyl ester
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
diethyl 3,3-dicyanopentanedioate77415-69-1Diethyl3,3-dicyanopentanedioatePentanedioic acid, 3,3-dicyano-, 1,5-diethyl esterNSC352750SCHEMBL12715665DTXSID80319965MFCD21362325AKOS016013423NSC-352750AS-77568DB-342599
Show more names
3,3-Dicyano-Pentanedioic Acid Diethyl Ester(WX618235)
CS-03658033,3-DICYANO-PENTANEDIOIC ACID DIETHYL ESTER
Database identifiers
- CAS
77415-69-1- PubChem CID
- 336874
- DTXSID
DTXSID80319965
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…