Basic information
- CAS
42245-98-7- Standard SMILES
COC(=O)C1=C(c2ccncc2)c2cccc3cccc1c23- InChIKey
NUNKSZZQDHJLHZ-UHFFFAOYSA-N- Molecular formula
- C19H13NO2
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.09462866
Names & identifiers
- Preferred name
- Methyl 2-(pyridin-4-yl)acenaphthylene-1-carboxylate
- IUPAC
- methyl 2-pyridin-4-ylacenaphthylene-1-carboxylate
Names & synonyms
42245-98-7methyl 2-(pyridin-4-yl)acenaphthylene-1-carboxylateNSC156281DTXSID30303056NSC-156281
Database identifiers
- CAS
42245-98-7- PubChem CID
- 291291
- DTXSID
DTXSID30303056
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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