Basic information
- CAS
926030-27-5- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)[nH]n1.CCOC(=O)c1cc(C(=O)OCC)[nH]n1.CCOC(=O)c1cc(C(=O)OCC)[nH]n1.O- InChIKey
BINMUCVXDQDRMM-UHFFFAOYSA-N- Molecular formula
- C27H38N6O13
- Average molar mass
- 654.6 g/mol
- Monoisotopic mass
- 654.24968529
Names & identifiers
- Preferred name
- tris(diethyl 1H-pyrazole-3,5-dicarboxylate);hydrate
- IUPAC
- tris(diethyl 1H-pyrazole-3,5-dicarboxylate);hydrate
Names & synonyms
926030-27-5DTXSID20853914Diethyl 1H-pyrazole-3,5-dicarboxylate--water (3/1)
Database identifiers
- CAS
926030-27-5- PubChem CID
- 71445366
- DTXSID
DTXSID20853914
Properties
Computed structural properties
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 18
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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