Dimethyl 2,5-bis(trimethylstannyl)pyrazole-3,4-dicarboxylate

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Basic information

CAS: 21803-11-2
Standard SMILES: COC(=O)c1[c]([Sn]([CH3])([CH3])[CH3])n[n]([Sn]([CH3])([CH3])[CH3])c1C(=O)OC
InChIKey: YXHLKVPTYJRJQL-UHFFFAOYSA-M
Molecular formula: C13H24N2O4Sn2
Average molar mass: 509.8 g/mol
Monoisotopic mass: 511.97801

Names & identifiers

Preferred name: Dimethyl 2,5-bis(trimethylstannyl)pyrazole-3,4-dicarboxylate
IUPAC: dimethyl 1,3-bis(trimethylstannyl)pyrazole-4,5-dicarboxylate

Names & synonyms

21803-11-2dimethyl 2,5-bis(trimethylstannyl)pyrazole-3,4-dicarboxylateNSC325301DTXSID00318051NSC-325301Dimethyl 1,3-bis(trimethylstannyl)-1H-pyrazole-4,5-dicarboxylate

Database identifiers

CAS: 21803-11-2
PubChem CID: 331601
DTXSID: DTXSID00318051

Properties

Computed structural properties

Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 417

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