Cas no 31483-97-3 (Bicyclo[3.2.1]octan-2-one, oxime)
31483-97-3 structure
Product Name:Bicyclo[3.2.1]octan-2-one, oxime
CAS No:31483-97-3
MF:C8H13NO
MW:139.194922208786
CID:323748
PubChem ID:5987274
Update Time:2025-04-19
Bicyclo[3.2.1]octan-2-one, oxime Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.2.1]octan-2-one, oxime
- N-(4-bicyclo[3.2.1]octanylidene)hydroxylamine
- bicyclo [3.2.1]octan
- Bicyclo < 3.2.1> octan
- bicyclo(3,2,1)-octane
- bicyclo[3.2.1.]octane
- Bicyclo[3.2.1]octane
- bicyclo< 3.2.1> octan-2-one oxime
- Bicyclo< 3.2.1> octane
- Bicyclo< 3.2.1> octanon-(2)-oxim
- NSC98594
- NSC-98594
- 31483-97-3
-
- Inchi: 1S/C8H13NO/c10-9-8-4-2-6-1-3-7(8)5-6/h6-7,10H,1-5H2/b9-8+
- InChI Key: BCTNLASZDQVROJ-CMDGGOBGSA-N
- SMILES: O/N=C1\CCC2CCC\1C2
Computed Properties
- Exact Mass: 139.09979
- Monoisotopic Mass: 139.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 32.6?2
Experimental Properties
- PSA: 32.59
- LogP: 2.02670
Bicyclo[3.2.1]octan-2-one, oxime Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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