Cas no 57681-20-6 (Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo-)
![Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo- structure](https://ossimg.kuujia.com/scimg/58000/57681-20-6x500.png)
57681-20-6 structure
Product Name:Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo-
CAS No:57681-20-6
MF:C13H19NO
MW:205.296063661575
CID:379751
PubChem ID:315339
Update Time:2025-04-19
Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo-
- 7-tert-butyl-8-oxobicyclo[4.2.0]octane-7-carbonitrile
- 7-Cyano-7-t-butyl-bicyclo[4.2.0]octan-8-on
- 7-Cyano-7-t-butyl-bicyclo< 4.2.0> octan-8-on
- 8-tert-butyl-7-oxobicyclo[4.2.0]octane-8-carbonitrile
- AC1L7RHL
- NSC240462
- NSC-240462
- 57681-20-6
- DTXSID20311206
-
- Inchi： 1S/C13H19NO/c1-12(2,3)13(8-14)10-7-5-4-6-9(10)11(13)15/h9-10H,4-7H2,1-3H3
- InChI Key： HKXYKDXRNHMZDA-UHFFFAOYSA-N
- SMILES： O=C1C2CCCCC2C1(C#N)C(C)(C)C
Computed Properties
- Exact Mass: 205.14677
- Monoisotopic Mass: 205.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
- LogP: 2.93158
Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
57681-20-6 (Bicyclo[4.2.0]octane-7-carbonitrile,7-(1,1-dimethylethyl)-8-oxo-) Related Products
- 4513-77-3(2-oxocyclohexane-1-carbonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk