Basic information
- CAS
65321-38-2- Standard SMILES
O=C(OC1CCCCC1)c1cccnc1- InChIKey
DMOCRQCRHPKMRK-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Nicotinic acid, cyclohexyl ester
- IUPAC
- cyclohexyl pyridine-3-carboxylate
Names & synonyms
Nicotinic acid, cyclohexyl estercyclohexyl nicotinatecyclohexyl pyridine-3-carboxylate3-Pyridinecarboxylic acid, cyclohexyl esterSCHEMBL9717131DTXSID00983945DMOCRQCRHPKMRK-UHFFFAOYSA-NNSC26146NSC 26146NSC-26146AI3-17335AG-690/11638135
Database identifiers
- CAS
65321-38-2- PubChem CID
- 95256
- DTXSID
DTXSID00983945- Nikkaji
- J432.028J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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