Basic information
- Standard SMILES
COC(=O)c1cccc2c(C#N)cccc12- InChIKey
FBGJWKLTPFWKOU-UHFFFAOYSA-N- Molecular formula
- C13H9NO2
- Average molar mass
- 211.22 g/mol
Names & identifiers
- Preferred name
- Methyl 5-cyano-1-naphthoate
- IUPAC
- methyl 5-cyanonaphthalene-1-carboxylate
Names & synonyms
methyl 5-cyano-1-naphthoate91804-21-6methyl 5-cyanonaphthalene-1-carboxylateSCHEMBL2647337FBGJWKLTPFWKOU-UHFFFAOYSA-NMethyl 5-Cyano-1-naphthylcarboxylateMFCD01464141SY581892AE-562/12223009
Database identifiers
- PubChem CID
- 826304
- Nikkaji
- J721.034E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
3 records
Compound notes
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