[(E)-(4-Methoxyphenyl)methylidene]cyanamide
Basic information
- CAS
61852-05-9- Standard SMILES
COc1ccc(C=NC#N)cc1- InChIKey
IKFAGLQWEBCJFN-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- [(E)-(4-Methoxyphenyl)methylidene]cyanamide
- IUPAC
- (4-methoxyphenyl)methylidenecyanamide
Names & synonyms
61852-05-9NSC331210[(E)-(4-Methoxyphenyl)methylidene]cyanamideDTXSID80318458NSC-331210DS-000112Cyanamide,[(4-methoxyphenyl)methylene]-(9ci)
Database identifiers
- CAS
61852-05-9- PubChem CID
- 332702
- DTXSID
DTXSID80318458- Nikkaji
- J911.265K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
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Compound notes
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