Basic information
- CAS
748777-72-2- Standard SMILES
O=C(O)c1c2c(nc3ccccc13)C(=Cc1ccc(O)cc1)CC2- InChIKey
RLRNPHISVAQKAJ-UHFFFAOYSA-N- Molecular formula
- C20H15NO3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10519334
Names & identifiers
- Preferred name
- 3-[(4-Hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
- IUPAC
- 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
- English name
- 3-[(4-hydroxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
- Molecular formula
- C20H15NO3
- Molecular weight
- 317.34
Names & synonyms
748777-72-23-[(4-hydroxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acidDTXSID801126005AKOS0343823613-[(4-Hydroxyphenyl)methylidene]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid1H-Cyclopenta[b]quinoline-9-carboxylic acid, 2,3-dihydro-3-[(4-hydroxyphenyl)methylene]-
Database identifiers
- CAS
748777-72-2- PubChem CID
- 3737372
- DTXSID
DTXSID801126005
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 555.1 · 555.1±50.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 1.02 · 1.02±0.20(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
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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