Basic information
- CAS
89465-06-5- Standard SMILES
CNNC(=O)c1cc(C)on1- InChIKey
ZFLPNZSUWANLDK-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-methylhydrazide
- IUPAC
- N',5-dimethyl-1,2-oxazole-3-carbohydrazide
- English name
- 3-Isoxazolecarboxylicacid,5-methyl-,2-methylhydrazide(6CI,7CI)
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
89465-06-53-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-METHYLHYDRAZIDEBRN 07766575-Methyl-3-isoxazolecarboxylic acid 2-methylhydrazideDTXSID90237747RefChem:280280DTXCID40160238N',5-dimethylisoxazole-3-carbohydrazideN',5-dimethyl-1,2-oxazole-3-carbohydrazideAKOS0062762233-Isoxazolecarboxylicacid,5-methyl-,2-methylhydrazide(6CI,7CI)
Database identifiers
- CAS
89465-06-5- PubChem CID
- 55974
- DTXSID
DTXSID90237747- Nikkaji
- J96.740H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 265.1 · 265.1±32.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 10.88 · 10.88±0.23(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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