Cas no 65534-78-3 (cyclohexanecarbonitrile, 2-acetyl- (6ci,9ci))
65534-78-3 structure
Product Name:cyclohexanecarbonitrile, 2-acetyl- (6ci,9ci)
CAS No:65534-78-3
MF:C9H13NO
MW:151.205622434616
CID:962036
PubChem ID:85929827
Update Time:2025-04-19
cyclohexanecarbonitrile, 2-acetyl- (6ci,9ci) Chemical and Physical Properties
Names and Identifiers
-
- cyclohexanecarbonitrile, 2-acetyl- (6ci,9ci)
- DB-286324
- 65534-78-3
- Cyclohexanecarbonitrile, 2-acetyl-
- 2-acetylcyclohexanecarbonitrile
-
- Inchi： 1S/C9H13NO/c1-7(11)9-5-3-2-4-8(9)6-10/h8-9H,2-5H2,1H3
- InChI Key： QVMHLNLXUZTOKT-UHFFFAOYSA-N
- SMILES： O=C(C)C1CCCCC1C#N
Computed Properties
- Exact Mass: 151.099714038g/mol
- 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: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 40.9?2
cyclohexanecarbonitrile, 2-acetyl- (6ci,9ci) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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