Basic information
- CAS
13566-26-2- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C)(C)N=N1- InChIKey
PJFWUHBQBYQONU-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- Dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylate
- IUPAC
- dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylate
Names & synonyms
13566-26-2dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylateDTXSID50312943RefChem:338625DTXCID80264067Dimethyl 3,3-dimethyl-3H-pyrazole-4,5-dicarboxylateNSC264709NSC-264709
Database identifiers
- CAS
13566-26-2- PubChem CID
- 319699
- DTXSID
DTXSID50312943- Nikkaji
- J1.661.537D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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