4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
Basic information
- CAS
21787-30-4- Standard SMILES
CCOC(=O)c1conc1-c1ccc([N+](=O)[O-])o1- InChIKey
WVCZVYZVQJYYBH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O6
- Average molar mass
- 252.18 g/mol
- Monoisotopic mass
- 252.03823598
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
- IUPAC
- ethyl 3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Names & synonyms
4-ISOXAZOLECARBOXYLIC ACID, 3-(5-NITRO-2-FURYL)-, ETHYL ESTER21787-30-4BRN 0548586ethyl 3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylateDTXSID401761923-(5-Nitro-2-furyl)-4-isoxazolecarboxylic acid ethyl ester
Database identifiers
- CAS
21787-30-4- PubChem CID
- 30805
- DTXSID
DTXSID40176192
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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