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Basic information
- Standard SMILES
COC(=O)C1Cc2cccc3cccc1c23- InChIKey
YXKLTDUORGJLQG-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- Methyl 1-acenaphthenecarboxylate
- IUPAC
- methyl 1,2-dihydroacenaphthylene-1-carboxylate
Names & synonyms
SCHEMBL9517871Methyl 1-acenaphthenecarboxylateYXKLTDUORGJLQG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 14799776
- Nikkaji
- J1.901.757E
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
3 records
Compound notes
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