Basic information
- CAS
61665-51-8- Standard SMILES
CC(C)=CCC1C(=O)OC(=O)c2ccccc21- InChIKey
YDPMTLBAOZUIEX-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 4-(3-Methylbut-2-en-1-yl)-1H-2-benzopyran-1,3(4H)-dione
- IUPAC
- 4-(3-methylbut-2-enyl)-4H-isochromene-1,3-dione
Names & synonyms
61665-51-8DTXSID704952874-(3-Methylbut-2-en-1-yl)-1H-2-benzopyran-1,3(4H)-dione
Database identifiers
- CAS
61665-51-8- PubChem CID
- 12378567
- DTXSID
DTXSID70495287
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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