Methyl 5-(2-furyl)isoxazole-3-carboxylate
Basic information
- CAS
33545-41-4- Standard SMILES
COC(=O)c1cc(-c2ccco2)on1- InChIKey
VTEZSUGFQUZAQW-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- Methyl 5-(2-furyl)isoxazole-3-carboxylate
- IUPAC
- methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate
- English name
- Methyl 5-(2-Furyl)isoxazole-3-carboxylate
- Molecular formula
- C9H7NO4
- Molecular weight
- 193.16
Names & synonyms
33545-41-4methyl 5-(2-furyl)isoxazole-3-carboxylatemethyl 5-(furan-2-yl)isoxazole-3-carboxylatemethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylateMFCD03778977F2135-05615-(2-Furyl)-3-isoxazolecarboxylic acid methyl esterSCHEMBL4129575DTXSID80410522VTEZSUGFQUZAQW-UHFFFAOYSA-NSMSSF-0533373IBA54541
Show more names
5-furan-2-yl-isoxazole-3-carboxylic acid methyl ester3-Isoxazolecarboxylic acid, 5-(2-furanyl)-, methyl ester
AKOS003314441SB61006DA-18219DS-17346SY015180methyl 5-(2-furyl)-3-isoxazolecarboxylatemethyl5-(furan-2-yl)isoxazole-3-carboxylateST50656861
Database identifiers
- CAS
33545-41-4- PubChem CID
- 5214769
- DTXSID
DTXSID80410522
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Suppliers
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Related reactions
180 records
Compound notes
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