Heptanedioic acid, 4,4-dicyano-, diallyl ester
Basic information
- CAS
7504-74-7- Standard SMILES
C=CCOC(=O)CCC(C#N)(C#N)CCC(=O)OCC=C- InChIKey
GNIQOVYCZKBHMI-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.12665706
Names & identifiers
- Preferred name
- Heptanedioic acid, 4,4-dicyano-, diallyl ester
- IUPAC
- bis(prop-2-enyl) 4,4-dicyanoheptanedioate
- English name
- 4,4-Dicyanoheptanedioic acid di(2-propenyl) ester
- Molecular weight
- 0
Names & synonyms
Diallyl 4,4-dicyanoheptanedioate7504-74-7IU5TK450TWHEPTANEDIOIC ACID, 4,4-DICYANO-, DIALLYL ESTERNSC 407888Heptanedioic acid, 4,4-dicyano-, di-2-propenyl esterUNII-IU5TK450TWNSC-407888DTXSID20226008HEPTANEDIOIC ACID, 4,4-DICYANO-, 1,7-DI-2-PROPEN-1-YL ESTERRefChem:145664DTXCID80148499
Show more names
4,4-Dicyanoheptanedioic acid di(2-propenyl) ester
Heptanedioic acid, 4,4-dicyano-, di-2-propenyl ester (9CI)SCHEMBL23630670NSC407888WLN: 1U2V2XCN&CN&2V2U1Heptanedioic acid,4-dicyano-, diallyl esterDi(prop-2-en-1-yl) 4,4-dicyanoheptanedioateHeptanedioic acid,4-dicyano-, di-2-propenyl ester
Database identifiers
- CAS
7504-74-7- PubChem CID
- 24133
- DTXSID
DTXSID20226008- UNII
- IU5TK450TW
- Nikkaji
- J49.282E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- FDA UNII
- 5 TK450TW · IU5TK450TW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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