Malononitrile, (5-nitrovanillylidene)-
Basic information
- CAS
101756-38-1- Standard SMILES
COc1cc(C=C(C#N)C#N)cc([N+](=O)[O-])c1O- InChIKey
CWOXUSIEQFFVBX-UHFFFAOYSA-N- Molecular formula
- C11H7N3O4
- Average molar mass
- 245.19 g/mol
- Monoisotopic mass
- 245.04365571
Names & identifiers
- Preferred name
- Malononitrile, (5-nitrovanillylidene)-
- IUPAC
- 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile
Names & synonyms
101756-38-1MALONONITRILE, (5-NITROVANILLYLIDENE)-DTXSID90144169RefChem:1088771DTXCID00666605-Nitrovanillylidenemalononitrile2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrileOprea1_087808Oprea1_786471BDBM4333CHEMBL307179AKOS002952032
Show more names
benzylidenemalononitrile (BMN) deriv. 17SR-01000203377SR-01000203377-1[(4-Hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrilePropanedinitrile, 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-
Database identifiers
- CAS
101756-38-1- PubChem CID
- 58857
- DTXSID
DTXSID90144169- ChEMBL
CHEMBL307179- Nikkaji
- J147.647E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 432
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Related reactions
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Compound notes
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