2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, hexyl ester

HCID 147372

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Basic information

CAS: 31145-81-0
Standard SMILES: CCCCCCOC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)o1
InChIKey: OGNZYMTZSGXEAZ-UHFFFAOYSA-N
Molecular formula: C13H18N2O6
Average molar mass: 298.29 g/mol
Monoisotopic mass: 298.1164863

Names & identifiers

Preferred name: 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, hexyl ester
IUPAC: hexyl 5-acetamido-4-nitrofuran-2-carboxylate

Names & synonyms

2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, hexyl ester31145-81-0Hexyl 5-(acetylamino)-4-nitro-2-furancarboxylatehexyl 5-acetamido-4-nitrofuran-2-carboxylateDTXSID10185079

Database identifiers

CAS: 31145-81-0
PubChem CID: 147372
DTXSID: DTXSID10185079

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 381

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