Basic information
- CAS
116611-74-6- Standard SMILES
CCCc1ccc(C=CC(=O)O)o1- InChIKey
IYVDBHAZZIYYCR-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 3-(5-Propyl-2-furanyl)-2-propenoic acid
- IUPAC
- 3-(5-propylfuran-2-yl)prop-2-enoic acid
Names & synonyms
DTXSID1012780733-(5-Propyl-2-furanyl)-2-propenoic acid3-(5-Propylfuran-2-yl)prop-2-enoic acid116611-74-6
Database identifiers
- CAS
116611-74-6- PubChem CID
- 85564754
- DTXSID
DTXSID101278073
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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