Basic information
- CAS
117783-52-5- Standard SMILES
CC=CC#CC(=O)c1ccc(C=CC(=O)O)o1- InChIKey
DMVOIMZYBMLJHN-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 3-[5-(Hex-4-EN-2-ynoyl)furan-2-YL]prop-2-enoic acid
- IUPAC
- 3-(5-hex-4-en-2-ynoylfuran-2-yl)prop-2-enoic acid
Names & synonyms
DTXSID5011971682-Propenoic acid, 3-[5-(1-oxo-4-hexen-2-ynyl)-2-furanyl]-3-[5-(HEX-4-EN-2-YNOYL)FURAN-2-YL]PROP-2-ENOIC ACID117783-52-5
Database identifiers
- CAS
117783-52-5- PubChem CID
- 85572425
- DTXSID
DTXSID501197168
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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