Basic information
- CAS
100382-13-6- Standard SMILES
COc1cc(C=C(C#N)C#N)ccc1OC(C)=O- InChIKey
CLKJRHLZRWBLSZ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate
- IUPAC
- [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] acetate
Names & synonyms
100382-13-64-(2,2-dicyanoethenyl)-2-methoxyphenyl acetate4-(2,2-dicyanovinyl)-2-methoxyphenyl acetateOprea1_261233Oprea1_364427DTXSID101183682STK074046AKOS000485134ST040346SR-01000314288SR-01000314288-12-[[4-(Acetyloxy)-3-methoxyphenyl]methylene]propanedinitrile
Show more names
Propanedinitrile, 2-[[4-(acetyloxy)-3-methoxyphenyl]methylene]-
Database identifiers
- CAS
100382-13-6- PubChem CID
- 730397
- DTXSID
DTXSID101183682- Nikkaji
- J1.319.040B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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