Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCc1ccc(C(=O)O)o1- InChIKey
RJIGVWIPNKDEEU-UHFFFAOYSA-N- Molecular formula
- C12H16O5
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.09977361
Names & identifiers
- Preferred name
- 5-(2-Tert-butoxycarbonylethyl)-furan-2-carboxylic acid
- IUPAC
- 5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]furan-2-carboxylic acid
Names & synonyms
SCHEMBL12581339RJIGVWIPNKDEEU-UHFFFAOYSA-N5-(2-tert-butoxycarbonylethyl)-furan-2-carboxylic acid
Database identifiers
- PubChem CID
- 68320280
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
2 records
Compound notes
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