dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate
Basic information
- CAS
29868-24-4- Standard SMILES
COC(=O)c1n[nH]c(C2OCC3OC(C)(C)OC32)c1C(=O)OC- InChIKey
HVHHEWNJKVREBW-UHFFFAOYSA-N- Molecular formula
- C14H18N2O7
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11140092
Names & identifiers
- Preferred name
- dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate
- IUPAC
- dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate
Names & synonyms
NSC13567729868-24-4DTXSID10300245NSC-135677Dimethyl 5-(2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate
Database identifiers
- CAS
29868-24-4- PubChem CID
- 282295
- DTXSID
DTXSID10300245
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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