Basic information
- Standard SMILES
COC(=O)CCc1ccc(C)o1- InChIKey
BIBWBGFNNLKVAI-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Methyl 3-(5-methyl-2-furanyl)propionate
- IUPAC
- methyl 3-(5-methylfuran-2-yl)propanoate
Names & synonyms
SCHEMBL8824487BIBWBGFNNLKVAI-UHFFFAOYSA-N2-methyl-5-(2'-carbomethoxyethyl) furanmethyl 3-(5-methyl-2-furanyl)propionate
Database identifiers
- PubChem CID
- 14906307
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
5 records
Compound notes
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