Basic information
- CAS
17739-41-2- Standard SMILES
O=C(O)c1ccc2c(c1)C(O)=C(c1nc3ccccc3cc1O)C2=O- InChIKey
JBBOTEFHSNYTCP-UHFFFAOYSA-N- Molecular formula
- C19H11NO5
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.06372245
Names & identifiers
- Preferred name
- 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(3-hydroxy-2(1H)-quinolinylidene)-1,3-dioxo-
- IUPAC
- 3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1-oxoindene-5-carboxylic acid
- English name
- 3-hydroxy-2-(3-hydroxy-2-quinolyl)-1-oxo-1H-indene-6-carboxylic acid
- Molecular formula
- C19H11NO5
- Molecular weight
- 333.29
Names & synonyms
6396-90-317739-41-21H-Indene-5-carboxylic acid, 2,3-dihydro-2-(3-hydroxy-2(1H)-quinolinylidene)-1,3-dioxo-1H-Indene-6-carboxylic acid, 3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1-oxo-KJLDFXSDPYFIHO-UHFFFAOYSA-N2-(3-Hydroxy-2(1H)-quinolylidene)-1,3-dioxoindan-5-carboxylic acidEINECS 229-006-3EINECS 241-731-7DTXSID3064306DTXSID4066254SCHEMBL13929116HARWBBSTBAINBI-UHFFFAOYSA-N
Show more names
JBBOTEFHSNYTCP-UHFFFAOYSA-N3-Hydroxy-2-(3-hydroxy-2-quinolinyl)-1-oxo-1H-indene-6-carboxylic acid3-Hydroxy-2-(3-hydroxy-2-quinolyl)-1-oxo-1H-indene-6-carboxylic acid3-Hydroxy-2-(3-hydroxyquinolin-2-yl)-1-oxo-1H-indene-6-carboxylic acidNS00025848NS00080684(2Z)-2-(3-Hydroxyquinolin-2(1H)-ylidene)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
Database identifiers
- CAS
17739-41-2、6396-90-3- PubChem CID
- 87273
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Melting point
- 358 · 358-390 °C
- Boiling point
- 668.5 · 668.5±55.0 °C(Predicted)
- Density
- 1.635 · 1.635±0.06 g/cm3(Predicted)
- pka
- 1.63 · 1.63±0.58(Predicted)
- EPA Substance Registry System
- 1 H-Indene-6-carboxylic · 1H-Indene-6-carboxylic acid, 3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1-oxo- (17739-41-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(3-hydroxy-2(1H)-quinolinylidene)-1,3-dioxo-: INACTIVE
1H-Indene-6-carboxylic acid, 3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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