Cas no 367263-86-3 (Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI))
![Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI) structure](https://ossimg.kuujia.com/scimg/367500/367263-86-3x500.png)
367263-86-3 structure
Product Name:Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI)
CAS No:367263-86-3
MF:C11H9NO
MW:171.195262670517
CID:1023390
PubChem ID:22714702
Update Time:2025-04-20
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI)
- 5-Acetylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
- 367263-86-3
- DB-253320
- KXZDPVISANUYNB-UHFFFAOYSA-N
- 6-Acetyl-1-benzocyclobutanecarbonitrile
- SCHEMBL6584249
-
- Inchi： 1S/C11H9NO/c1-7(13)10-4-2-3-8-5-9(6-12)11(8)10/h2-4,9H,5H2,1H3
- InChI Key： KXZDPVISANUYNB-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC=CC2=C1C(C#N)C2
Computed Properties
- Exact Mass: 171.068
- Monoisotopic Mass: 171.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.9A^2
- XLogP3: 0.6
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-acetyl- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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