Basic information
- CAS
60072-40-4- Standard SMILES
CC(=O)c1ccc2ccccc2c1OC(=O)c1cccnc1- InChIKey
VBMXOXRYYKJHJC-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- F0037-4759
- IUPAC
- (2-acetylnaphthalen-1-yl) pyridine-3-carboxylate
Names & synonyms
60072-40-4F0037-4759DTXSID40314471RefChem:345344DTXCID402655952-acetylnaphthalen-1-yl nicotinate2-acetylnaphthalen-1-yl pyridine-3-carboxylate(2-acetylnaphthalen-1-yl) pyridine-3-carboxylateNSC2838432-acetyl-1-naphthyl nicotinateSMSSF-0059202CCG-15343
Show more names
AKOS024574353NSC-283843EU-0000740SR-01000394242SR-01000394242-13-Pyridinecarboxylic acid, 2-acetyl-1-naphthalenyl ester
Database identifiers
- CAS
60072-40-4- PubChem CID
- 323482
- DTXSID
DTXSID40314471
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…