Basic information
- CAS
148122-20-7- Standard SMILES
COC(=O)c1cnon1- InChIKey
JIMNDYMIGWFBGR-UHFFFAOYSA-N- Molecular formula
- C4H4N2O3
- Average molar mass
- 128.09 g/mol
Names & identifiers
- Preferred name
- Methyl 1,2,5-oxadiazole-3-carboxylate
- IUPAC
- methyl 1,2,5-oxadiazole-3-carboxylate
- English name
- 1,2,5-Oxadiazole-3-carboxylic acid, methyl ester (9CI)
- Molecular formula
- C4H4N2O3
- Molecular weight
- 128.09
Names & synonyms
Methyl 1,2,5-oxadiazole-3-carboxylate148122-20-71,2,5-Oxadiazole-3-carboxylic acid, methyl ester (9CI)1,2,5-Oxadiazole-3-carboxylic acid, methyl ester
Database identifiers
- CAS
148122-20-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 180.8 · 180.8±32.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- -3.54 · -3.54±0.30(Predicted)
Chemistry & industry
Suppliers2 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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