Basic information
- CAS
7499-45-8- Standard SMILES
CC(=O)Oc1cc2c(c3ccc4ccccc4c13)CCc1ccccc1-2- InChIKey
CGRHMZVJGZGTAB-UHFFFAOYSA-N- Molecular formula
- C24H18O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13067981
Names & identifiers
- Preferred name
- 5,6-Dihydropicen-13-yl acetate
- IUPAC
- 5,6-dihydropicen-13-yl acetate
Names & synonyms
7499-45-85,6-dihydropicen-13-yl acetateNSC407658SCHEMBL2681884DTXSID70324760NSC-407658
Database identifiers
- CAS
7499-45-8- PubChem CID
- 348385
- DTXSID
DTXSID70324760
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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