Basic information
- CAS
105708-79-0- Standard SMILES
CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34- InChIKey
LMVILOHJDARIKK-UHFFFAOYSA-N- Molecular formula
- C19H14O2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.09937969
Names & identifiers
- Preferred name
- 1-Acetoxymethylpyrene
- IUPAC
- pyren-1-ylmethyl acetate
Names & synonyms
1-AcetoxymethylpyreneCCRIS 4483105708-79-0DTXSID40147266RefChem:227279DTXCID0069757(PYREN-1-YL)METHYL ACETATE1-(Acetoxymethyl)pyreneM3HM6KLF5N1-Pyrenemethanol, 1-acetateSCHEMBL9883394
Database identifiers
- CAS
105708-79-0- PubChem CID
- 149705
- DTXSID
DTXSID40147266- UNII
- M3HM6KLF5N
- Nikkaji
- J2.273.552G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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