Basic information
- CAS
31145-80-9- Standard SMILES
CC(=O)Nc1oc(C(=O)OC(C)C)cc1[N+](=O)[O-]- InChIKey
FPOXAHIPWZTWSD-UHFFFAOYSA-N- Molecular formula
- C10H12N2O6
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.06953611
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester
- IUPAC
- propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate
Names & synonyms
2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester31145-80-9propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate1-Methylethyl 5-(acetylamino)-4-nitro-2-furancarboxylateDTXSID50185078
Database identifiers
- CAS
31145-80-9- PubChem CID
- 147371
- DTXSID
DTXSID50185078
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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