2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, methyl ester
Basic information
- CAS
31145-77-4- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)o1- InChIKey
VWHFYGSPLXISLS-UHFFFAOYSA-N- Molecular formula
- C8H8N2O6
- Average molar mass
- 228.16 g/mol
- Monoisotopic mass
- 228.03823598
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, methyl ester
- IUPAC
- methyl 5-acetamido-4-nitrofuran-2-carboxylate
Names & synonyms
31145-77-42-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, methyl estermethyl 5-acetamido-4-nitrofuran-2-carboxylateMethyl 5-(acetylamino)-4-nitro-2-furancarboxylateDTXSID30185076
Database identifiers
- CAS
31145-77-4- PubChem CID
- 147369
- DTXSID
DTXSID30185076
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
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Compound notes
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