2-Cyano-1,3-dihydroindene-2-carboxylic acid
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Basic information
- CAS
858226-43-4- Standard SMILES
N#CC1(C(=O)O)Cc2ccccc2C1- InChIKey
NJZOLWVEGIZSOX-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2-Cyano-1,3-dihydroindene-2-carboxylic acid
- IUPAC
- 2-cyano-1,3-dihydroindene-2-carboxylic acid
- English name
- 2-Cyano-1,3-dihydroindene-2-carboxylic acid
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2-cyano-1,3-dihydroindene-2-carboxylic acid858226-43-42-Cyano-indan-2-carboxylic acidMFCD218028882-cyano-2,3-dihydro-1H-indene-2-carboxylic acid2-cyanoindane-2-carboxylic acidAKOS017683853BS-295602-cyano-1,3-dihydroindene-2-carboxylicacidCS-0210436F3302731H-Indene-2-carboxylic acid, 2-cyano-2,3-dihydro-
Database identifiers
- CAS
858226-43-4- PubChem CID
- 23073918
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 422.9 · 422.9±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2.43 · 2.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- 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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