Cas no 32379-37-6 (cyclohexanecarbonitrile, 1-hydroxy-, acetate)
32379-37-6 structure
Product Name:cyclohexanecarbonitrile, 1-hydroxy-, acetate
CAS No:32379-37-6
MF:C9H13NO2
MW:167.205022573471
CID:916879
PubChem ID:141702
Update Time:2025-04-19
cyclohexanecarbonitrile, 1-hydroxy-, acetate Chemical and Physical Properties
Names and Identifiers
-
- cyclohexanecarbonitrile, 1-hydroxy-, acetate
- (1-cyanocyclohexyl) acetate
- 1-Acetoxy-cyclohexancarbonitril
- 1-Acetoxy-cyclohexan-carbonsaeure-(1)-nitril
- 1-acetoxy-cyclohexanecarbonitrile
- 1-Acetoxy-cyclohexylcyanid
- 1-acetyloxycyclohexanenitrile
- 1-cyanocyclohexyl acetate
- AC1L3JN5
- cyclohexanone cyanohydrin acetate
- NSC96977
- SureCN2861221
- SCHEMBL2861221
- DTXSID00186095
- NSC 96977
- NSC-96977
- 32379-37-6
- AKOS024323331
-
- Inchi： 1S/C9H13NO2/c1-8(11)12-9(7-10)5-3-2-4-6-9/h2-6H2,1H3
- InChI Key： KHJVAMGRTUVBMB-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1(C#N)CCCCC1
Computed Properties
- Exact Mass: 167.09469
- Monoisotopic Mass: 167.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
- LogP: 1.77598
cyclohexanecarbonitrile, 1-hydroxy-, acetate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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