Basic information
- CAS
20001-36-9- Standard SMILES
CCCOC(=O)c1ccc([N+](=O)[O-])o1- InChIKey
KDWMOTCARFFLTQ-UHFFFAOYSA-N- Molecular formula
- C8H9NO5
- Average molar mass
- 199.16 g/mol
- Monoisotopic mass
- 199.04807239
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-nitro-, propyl ester
- IUPAC
- propyl 5-nitrofuran-2-carboxylate
Names & synonyms
2-FURANCARBOXYLIC ACID, 5-NITRO-, PROPYL ESTER20001-36-9NSC-74626DTXSID501738146CY6739G7SRefChem:1063218DTXCID5096305n-Propyl-5-nitro-2-furoate2-Nitrofuran-5-carboxylate propyl esterpropyl 5-nitrofuran-2-carboxylateNSC 74626BRN 1378786
Show more names
2-Furoic acid, 5-nitro-, propyl esterAI3-23600NSC74626NCIOpen2_000765SCHEMBL27861614AKOS008949522DS-012095
Database identifiers
- CAS
20001-36-9- PubChem CID
- 29906
- DTXSID
DTXSID50173814- UNII
- 6CY6739G7S
- Nikkaji
- J49.584K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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