Basic information
- CAS
722467-69-8- Standard SMILES
O=C(O)COc1ccccc1C=C1CCc2c1nc1ccccc1c2C(=O)O- InChIKey
KMYUIROGSMBLNN-UHFFFAOYSA-N- Molecular formula
- C22H17NO5
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11067264
Names & identifiers
- Preferred name
- CID 3696635
- IUPAC
- 3-[[2-(carboxymethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
- English name
- 3-{[2-(carboxymethoxy)phenyl]methylidene}-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
- Molecular formula
- C22H17NO5
- Molecular weight
- 375.37
Names & synonyms
722467-69-8DTXSID6011175493-{[2-(carboxymethoxy)phenyl]methylidene}-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acidAKOS0344635943-[[2-(Carboxymethoxy)phenyl]methylene]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid3-[[2-(carboxymethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid3-{[2-(Carboxymethoxy)phenyl]methylidene}-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid1H-Cyclopenta[b]quinoline-9-carboxylic acid, 3-[[2-(carboxymethoxy)phenyl]methylene]-2,3-dihydro-
Database identifiers
- CAS
722467-69-8- PubChem CID
- 3696635
- DTXSID
DTXSID601117549
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 628.6 · 628.6±55.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 1.01 · 1.01±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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