Cas no 540787-82-4 (Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI))
![Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI) structure](https://ossimg.kuujia.com/scimg/541000/540787-82-4x500.png)
540787-82-4 structure
Product Name:Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI)
CAS No:540787-82-4
MF:C13H11NO
MW:197.232543230057
CID:939583
PubChem ID:45098883
Update Time:2025-04-19
Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI)
- DB-325958
- Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)-
- SCHEMBL14101938
- 540787-82-4
- 3-(4-Oxobicyclo[3.1.0]hex-1-yl)benzonitrile
-
- Inchi： 1S/C13H11NO/c14-8-9-2-1-3-10(6-9)13-5-4-12(15)11(13)7-13/h1-3,6,11H,4-5,7H2
- InChI Key： CNSIRYJADWIMDD-UHFFFAOYSA-N
- SMILES： O=C1CCC2(C3C=CC=C(C#N)C=3)CC21
Computed Properties
- Exact Mass: 197.084063974g/mol
- Monoisotopic Mass: 197.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 40.9?2
Benzonitrile, 3-(4-oxobicyclo[3.1.0]hex-1-yl)- (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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