Malononitrile, 2-(4-hydroxy-3-iodo-5-methoxybenzylidene)-compd. with morpholine
Basic information
- CAS
73747-67-8- Standard SMILES
C1COCCN1.COc1cc(C=C(C#N)C#N)cc(I)c1O- InChIKey
BVXZJCJRUDJHCN-UHFFFAOYSA-N- Molecular formula
- C15H16IN3O3
- Average molar mass
- 413.21 g/mol
- Monoisotopic mass
- 413.02364
Names & identifiers
- Preferred name
- Malononitrile, 2-(4-hydroxy-3-iodo-5-methoxybenzylidene)-compd. with morpholine
- IUPAC
- 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile;morpholine
Names & synonyms
Morpholinium 4-dicyanovinyl-2-iodo-6-methoxyphenoxide73747-67-8NSC 221195DTXSID50224092RefChem:351889DTXCID50146583Malononitrile, 2-(4-hydroxy-3-iodo-5-methoxybenzylidene)-compd. with morpholinePropanedinitrile, ((4-hydroxy-3-iodo-5-methoxyphenyl)methylene)-, compd. with morpholine (1:1) (9CI)NSC-221195NSC221195VY6TUU3ZVD[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile--morpholine (1/1)
Show more names
Morpholine, compd. with [(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]propanedinitrile (1:1)
Database identifiers
- CAS
73747-67-8- PubChem CID
- 52384
- DTXSID
DTXSID50224092- UNII
- VY6TUU3ZVD
Properties
Computed structural properties
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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