Basic information
- Standard SMILES
CC(=O)Nc1ccc(C=C(C#N)C#N)cc1- InChIKey
HDJOIOGUBRECCC-UHFFFAOYSA-N- Molecular formula
- C12H9N3O
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.07456191
Names & identifiers
- Preferred name
- N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide
- IUPAC
- N-[4-(2,2-dicyanoethenyl)phenyl]acetamide
- English name
- 2-(4-Acetamidobenzylidene)malononitrile
- Molecular formula
- C12H9N3O
- Molecular weight
- 211.22
Names & synonyms
26088-79-9N-[4-(2,2-dicyanoethenyl)phenyl]acetamideACETANILIDE, 4'-(2,2-DICYANOVINYL)-DTXSID60180716N-(4-(2,2-Dicyanoethenyl)phenyl)acetamideRefChem:1091216DTXCID00103207N-(4-(2,2-Dicyanovinyl)phenyl)acetamideN-[4-(2,2-dicyanovinyl)phenyl]acetamide4'-(2,2-Dicyanovinyl)acetanilideAcetamide, N-[4-(2,2-dicyanoethenyl)phenyl]-2-(4-Acetamidobenzylidene)malononitrile
Show more names
RARECHEM AL BX 00784’-(2,2-dicyanovinyl)-acetanilid2-(ACETAMIDOBENZYLIDENE)MALONONITRILEalpha-Dicyanomethylene-4-acetotoluidideN-(2,2-dicyano-1-phenylethenyl)acetamide2-(4-ACETAMIDOBENZYLIDENE) MALONONITRILE2-(ACETAMIDOBENZYLIDENE)MALONONITRILE(A)ALPHA-DICYANOMETHYLENE-PARA-ACETOTOLUIDIDE
Acetamide, N-(4-(2,2-dicyanoethenyl)phenyl)-NSC 56077BRN 2372655NSC56077Tyrphostin deriv. 3Oprea1_608033Acetanilide,2-dicyanovinyl)-4-14-00-01928 (Beilstein Handbook Reference)
Database identifiers
- CAS
26088-79-9- PubChem CID
- 33296
- DTXSID
DTXSID60180716- ChEMBL
CHEMBL57631- Nikkaji
- J54.154K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- CAS DataBase Reference
- 26088 · 26088-79-9(CAS DataBase Reference)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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Related reactions
11 records
Linked notes
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