Malononitrile, (3,4,5-trimethoxyphenyl)hydrazono-

HCID 58860

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Basic information

CAS: 101756-41-6
Standard SMILES: COc1cc(NN=C(C#N)C#N)cc(OC)c1OC
InChIKey: SZLZINHKPROFHT-UHFFFAOYSA-N
Molecular formula: C12H12N4O3
Average molar mass: 260.25 g/mol
Monoisotopic mass: 260.09094026

Names & identifiers

Preferred name: Malononitrile, (3,4,5-trimethoxyphenyl)hydrazono-
IUPAC: 2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]propanedinitrile

Names & synonyms

101756-41-6MALONONITRILE, (3,4,5-TRIMETHOXYPHENYL)HYDRAZONO-(3,4,5-Trimethoxyphenyl)hydrazonomalononitrile3,4,5-Trimethoxyphenylhydrazine, hydrazone with carbonyl cyanideDTXSID20144172RefChem:351863DTXCID5066663NSC106893NSC-106893(3,4,5-Trimethoxyphenyl)carbonohydrazonoyl dicyanidePropanedinitrile, 2-[2-(3,4,5-trimethoxyphenyl)hydrazinylidene]-

Database identifiers

CAS: 101756-41-6
PubChem CID: 58860
DTXSID: DTXSID20144172
Nikkaji: J147.665C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 99.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 387

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