3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE
3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE structure
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Common Name | 3-(3-OXO-CYCLOPENT-1-ENYL)-BENZONITRILE | ||
|---|---|---|---|---|
| CAS Number | 849697-79-6 | Molecular Weight | 183.20600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H9NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(3-oxocyclopenten-1-yl)benzonitrile |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H9NO |
|---|---|
| Molecular Weight | 183.20600 |
| Exact Mass | 183.06800 |
| PSA | 40.86000 |
| LogP | 2.30458 |
| InChIKey | XNUKZVIMHSJWHT-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(C2=CC(=O)CC2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~57%
3-(3-OXO-CYCLOP... CAS#:849697-79-6 |
| Literature: McBriar, Mark D.; Guzik, Henry; Xu, Ruo; Paruchova, Jaroslava; Li, Shengjian; Palani, Anandan; Clader, John W.; Greenlee, William J.; Hawes, Brian E.; Kowalski, Timothy J.; O'Neill, Kim; Spar, Brian; Weig, Blair Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2274 - 2277 Title/Abstract Full Text View citing articles Show Details McBriar, Mark D.; Guzik, Henry; Shapiro, Sherry; Paruchova, Jaroslava; Xu, Ruo; Palani, Anandan; Clader, John W.; Cox, Kathleen; Greenlee, William J.; Hawes, Brian E.; Kowalski, Timothy J.; O'Neill, Kim; Spar, Brian D.; Weig, Blair; Weston, Daniel J.; Farley, Constance; Cook, John Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2294 - 2310 |
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~57%
3-(3-OXO-CYCLOP... CAS#:849697-79-6 |
| Literature: Fall, Yacoub; Doucet, Henri; Santelli, Maurice Tetrahedron, 2009 , vol. 65, # 2 p. 489 - 495 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: The English name of 3-(3-oxocyclopenten-1-yl)benzonitrile is 3-(3-oxocyclopenten-1-yl)benzonitrile. |
| Q: What is the SMILES notation of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: SMILES notation of 3-(3-oxocyclopenten-1-yl)benzonitrile is N#Cc1cccc(C2=CC(=O)CC2)c1. |
| Q: What is the molecular weight of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: Molecular weight of 3-(3-oxocyclopenten-1-yl)benzonitrile is 183.20600. |
| Q: What is the polar surface area (PSA) of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: Polar surface area (PSA) of 3-(3-oxocyclopenten-1-yl)benzonitrile is 40.86000. |
| Q: What is the CAS number of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: CAS number of 3-(3-oxocyclopenten-1-yl)benzonitrile is 849697-79-6. |
| Q: What is the LogP of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: LogP of 3-(3-oxocyclopenten-1-yl)benzonitrile is 2.30458. |
| Q: What is the InChIKey of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: InChIKey of 3-(3-oxocyclopenten-1-yl)benzonitrile is XNUKZVIMHSJWHT-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-(3-oxocyclopenten-1-yl)benzonitrile? |
| A: Molecular formula of 3-(3-oxocyclopenten-1-yl)benzonitrile is C12H9NO. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |