5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
Basic information
- CAS
83817-53-2- Standard SMILES
Cc1onc(-c2cccs2)c1C(=O)O- InChIKey
QSTCJVAUTDWHRS-UHFFFAOYSA-N- Molecular formula
- C9H7NO3S
- Average molar mass
- 209.22 g/mol
- Monoisotopic mass
- 209.01466426
Names & identifiers
- Preferred name
- 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
- IUPAC
- 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
- English name
- 5-methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
- Molecular formula
- C9H7NO3S
- Molecular weight
- 209.22
Names & synonyms
83817-53-25-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid5-methyl-3-(thiophen-2-yl)isoxazole-4-carboxylic acid5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acidJ2P37M0RDA5-methyl-3-(thiophen-2-yl)-1,2-oxazole-4-carboxylic acidEINECS 280-953-9UNII-J2P37M0RDADTXSID40232702QSTCJVAUTDWHRS-UHFFFAOYSA-NIDA81753MFCD07376059
Show more names
5-Methyl-3-(2-thienyl)-4-isoxazolecarboxylic acid
AKOS022197003SY331746NS00038314EN300-2647785-methyl-3-(thiophen-2-yl)isoxazole-4-carboxylicacidF1907-05124-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(2-THIENYL)-
Database identifiers
- CAS
83817-53-2- PubChem CID
- 3019367
- DTXSID
DTXSID40232702- UNII
- J2P37M0RDA
- EC Number
- 280-953-9
- Nikkaji
- J326.848I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- FDA UNII
- 2 P37M0RDA · J2P37M0RDA
Chemistry & industry
Applications
Uses5-Methyl-3-(thiophen-2-yl)isoxazole-4-carboxylic acid is used as a reactant in the preparation of derivatives of 6-aminopenicillanic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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