Cas no 182863-77-0 (Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI))
182863-77-0 structure
Product Name:Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI)
CAS No:182863-77-0
MF:C9H13NO
MW:151.205622434616
CID:113932
PubChem ID:11030006
Update Time:2025-04-18
Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI)
- Cyclopentaneacetonitrile, 2,2-dimethyl-3-oxo-, (S)- (9CI)
- 182863-77-0
- 2-[(1S)-2,2-dimethyl-3-oxocyclopentyl]acetonitrile
-
- Inchi： 1S/C9H13NO/c1-9(2)7(5-6-10)3-4-8(9)11/h7H,3-5H2,1-2H3/t7-/m0/s1
- InChI Key： RGDYFHVYDXUXJC-ZETCQYMHSA-N
- SMILES： O=C1CC[C@@H](CC#N)C1(C)C
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
182863-77-0 (Cyclopentaneacetonitrile,2,2-dimethyl-3-oxo-, (S)- (9CI)) Related Products
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