Basic information
- CAS
170564-99-5- Standard SMILES
N#Cc1ccc(C(=O)C2CC2)cc1- InChIKey
ZHFBDOSDKRVFIG-UHFFFAOYSA-N- Molecular formula
- C11H9NO
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.06841391
Names & identifiers
- Preferred name
- 4-Cyanophenyl cyclopropyl ketone
- IUPAC
- 4-(cyclopropanecarbonyl)benzonitrile
- English name
- 4-Cyanophenyl cyclopropyl ketone
- Molecular formula
- C11H9NO
- Molecular weight
- 171.2
Names & synonyms
170564-99-54-Cyanophenylcyclopropylketone4-CYANOPHENYL CYCLOPROPYL KETONE4-(cyclopropanecarbonyl)benzonitrile4-CyclopropanecarbonylbenzonitrileMFCD03841212SCHEMBL74469554-CyanophenylcyclopropylmethanoneDTXSID90444959ZHFBDOSDKRVFIG-UHFFFAOYSA-NAKOS006277860F204019
Show more names
4-(Cyclopropan-carbonyl)-benzonitrileBenzonitrile, 4-(cyclopropylcarbonyl)-
Database identifiers
- CAS
170564-99-5- PubChem CID
- 10797264
- DTXSID
DTXSID90444959
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 339.4 · 339.4±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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