Basic information
- CAS
19310-87-3- Standard SMILES
CC(=O)Oc1ccc(C=C(C#N)C#N)cc1- InChIKey
YFUZLOBPZJYAHQ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- 4-(2,2-Dicyanovinyl)phenyl acetate
- IUPAC
- [4-(2,2-dicyanoethenyl)phenyl] acetate
Names & synonyms
4-(2,2-dicyanovinyl)phenyl acetate19310-87-3DTXSID60278945propanedinitrile, [[4-(acetyloxy)phenyl]methylene]-propanedinitrile, ((4-(acetyloxy)phenyl)methylene)-RefChem:286842DTXCID80230101InChI=1/C12H8N2O2/c1-9(15)16-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1HNSC10746SCHEMBL9589163NSC-10746AKOS003029969
Show more names
4-(2,2-Dicyanoethen-1-yl)phenyl acetate
Database identifiers
- CAS
19310-87-3- PubChem CID
- 223271
- DTXSID
DTXSID60278945- Nikkaji
- J2.181.557H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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