Basic information
- CAS
71107-23-8- Standard SMILES
Cc1ccnc(C2=C(O)c3ccccc3C2=O)c1- InChIKey
GPOYOTJUMBIUOP-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(4-methyl-2-pyridinyl)inden-1-one
- IUPAC
- 3-hydroxy-2-(4-methyl-2-pyridinyl)inden-1-one
Names & synonyms
NSC35634671107-23-8DTXSID50419582NSC-3563462-(4-Methylpyridin-2(1H)-ylidene)-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
71107-23-8- PubChem CID
- 337616
- DTXSID
DTXSID50419582- Nikkaji
- J999.167K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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