[1-(3-Methoxyphenyl)ethylidene]propanedinitrile
Basic information
- CAS
86604-43-5- Standard SMILES
COc1cccc(C(C)=C(C#N)C#N)c1- InChIKey
KSTYFPHNAZISJF-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- [1-(3-Methoxyphenyl)ethylidene]propanedinitrile
- IUPAC
- 2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile
- English name
- 2-[1-(3-Methoxy-phenyl)-ethylidene]-malononitrile
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
86604-43-5[1-(3-methoxyphenyl)ethylidene]propanedinitrile2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile2-(1-(3-Methoxyphenyl)ethylidene)malononitrileNSC61799SCHEMBL1982248DTXSID70289527KSTYFPHNAZISJF-UHFFFAOYSA-NNSC-61799AKOS006278142{1-[3-(Methyloxy)phenyl]ethylidene}propanedinitrile2-[1-(3-Methoxy-phenyl)-ethylidene]-malononitrile
Show more names
Propanedinitrile, 2-[1-(3-methoxyphenyl)ethylidene]-
Database identifiers
- CAS
86604-43-5- PubChem CID
- 247355
- DTXSID
DTXSID70289527
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
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Related reactions
1 records
Compound notes
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