1-Pyreneacetic acid, ethyl ester
Basic information
- CAS
64709-56-4- Standard SMILES
CCOC(=O)Cc1ccc2ccc3cccc4ccc1c2c34- InChIKey
QQGMNTTXACIRLM-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- 1-Pyreneacetic acid, ethyl ester
- IUPAC
- ethyl 2-pyren-1-ylacetate
Names & synonyms
ethyl pyren-1-ylacetate1-Pyreneacetic acid, ethyl ester64709-56-4DTXSID20215053RefChem:235112DTXCID20137544Ethyl (pyren-1-yl)acetateSCHEMBL9883450
Database identifiers
- CAS
64709-56-4- PubChem CID
- 186771
- DTXSID
DTXSID20215053
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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