3,5-Diacetoxymethylpyrazole

HCID 12377534
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Basic information

Standard SMILES
CC(=O)OCc1cc(COC(C)=O)[nH]n1
InChIKey
XEUNWKIYWUFIJC-UHFFFAOYSA-N
Molecular formula
C9H12N2O4
Average molar mass
212.2 g/mol

Names & identifiers

Preferred name
3,5-Diacetoxymethylpyrazole
IUPAC
[3-(acetyloxymethyl)-1H-pyrazol-5-yl]methyl acetate

Names & synonyms

3,5-DiacetoxymethylpyrazoleSCHEMBL11526295XEUNWKIYWUFIJC-UHFFFAOYSA-N

Database identifiers

PubChem CID
12377534

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
81.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
15

Related reactions

8 records
New reaction record

Compound notes

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