3-Methyl-5-pentyl-2-furanpropanoic acid
Basic information
- CAS
116627-42-0- Standard SMILES
CCCCCc1cc(C)c(CCC(=O)O)o1- InChIKey
QZGKHISFVLMXCZ-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- 3-Methyl-5-pentyl-2-furanpropanoic acid
- IUPAC
- 3-(3-methyl-5-pentylfuran-2-yl)propanoic acid
Names & synonyms
3-Methyl-5-pentyl-2-furanpropanoic acidDTXSID8012797413-(3-Methyl-5-pentylfuran-2-yl)propanoic acid116627-42-0
Database identifiers
- CAS
116627-42-0、69662-69-7- PubChem CID
- 85564647
- DTXSID
DTXSID801279741
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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