Cas no 50599-05-8 (Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl-)
50599-05-8 structure
Product Name:Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl-
CAS No:50599-05-8
MF:C13H14O2
MW:202.249063968658
CID:364543
PubChem ID:13626936
Update Time:2025-04-19
Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl-
- 2-oxo-3-phenylcyclohexane-1-carbaldehyde
- 50599-05-8
- DTXSID90545334
-
- Inchi： 1S/C13H14O2/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2
- InChI Key： GTDCBLPYTNREDG-UHFFFAOYSA-N
- SMILES： O=C1C(C=O)CCCC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 202.09942
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 241
- 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: 2.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
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
50599-05-8 (Cyclohexanecarboxaldehyde, 2-oxo-3-phenyl-) Related Products
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 38861-78-8(4-Isobutylacetophenone)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
