Cas no 55278-47-2 (Cyclohexanecarboxaldehyde, 2-phenyl-, trans-)
55278-47-2 structure
Product Name:Cyclohexanecarboxaldehyde, 2-phenyl-, trans-
CAS No:55278-47-2
MF:C13H16O
MW:188.265543937683
CID:352356
PubChem ID:15554881
Update Time:2025-04-19
Cyclohexanecarboxaldehyde, 2-phenyl-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxaldehyde, 2-phenyl-, trans-
- 55278-47-2
- DTXSID60574030
- (1R,2R)-2-Phenylcyclohexane-1-carbaldehyde
-
- Inchi： 1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13-/m0/s1
- InChI Key： XTTBGKQTEJQTBS-STQMWFEESA-N
- SMILES： O=C[C@@H]1CCCC[C@H]1C1C=CC=CC=1
Computed Properties
- Exact Mass: 188.12018
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanecarboxaldehyde, 2-phenyl-, trans- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
55278-47-2 (Cyclohexanecarboxaldehyde, 2-phenyl-, trans-) Related Products
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 103-95-7(Cyclamen aldehyde)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 38861-78-8(4-Isobutylacetophenone)
- 14996-78-2(2-phenylcycloheptan-1-one)
- 1466-74-6(4-phenylcyclohexane-1-carbaldehyde)
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