3-(4-hydroxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one
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Basic information
- CAS
161111-65-5- Standard SMILES
O=C1c2ccccc2-c2nnc(-c3ccc(O)cc3)cc21- InChIKey
NPDCPMSDPKIAFG-UHFFFAOYSA-N- Molecular formula
- C17H10N2O2
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.07422757
Names & identifiers
- Preferred name
- 3-(4-hydroxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one
- IUPAC
- 3-(4-hydroxyphenyl)indeno[1,2-c]pyridazin-5-one
- English name
- 3-(4-HYDROXY-PHENYL)-INDENO[1,2-C]PYRIDAZIN-5-ONE
- Molecular formula
- C17H10N2O2
- Molecular weight
- 274.27
Names & synonyms
3-(4-hydroxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one161111-65-5CHEMBL1277573-(4-hydroxyphenyl)indeno[1,2-c]pyridazin-5-oneMFCD00232439Bionet2_000811Oprea1_155978CBDivE_007528MLS0007558553-(4-Hydroxy-phenyl)-indeno[1,2-c]pyridazin-5-oneDTXSID50878099HMS1366E19
Show more names
5H-Indeno[1,2-c]pyridazin-5-one, 3-(4-hydroxyphenyl)-
HMS2603E10BDBM50031019AKOS005077798SMR00033788711K-0021,2-DIAZA-9-FLUORENONE,3-(P-HYDROXYPHENYL)
Database identifiers
- CAS
161111-65-5- PubChem CID
- 2767324
- DTXSID
DTXSID50878099- ChEMBL
CHEMBL127757- Nikkaji
- J696.935F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
LogP2.88
Physicochemical properties
- Boiling point
- 601 · 601.0±43.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 8.37 · 8.37±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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