Basic information
- CAS
7504-38-3- Standard SMILES
COC(=O)CCC(=O)c1ccc2c3c(cccc13)CC2- InChIKey
FQIDWHIAQSZKLO-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Methyl 4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoate
- IUPAC
- methyl 4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoate
Names & synonyms
7504-38-3methyl 4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoateNSC407603METHYL 4-ACENAPHTHEN-5-YL-4-OXO-BUTANOATEDTXSID50324723NSC-407603
Database identifiers
- CAS
7504-38-3- PubChem CID
- 348335
- DTXSID
DTXSID50324723
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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