Cas no 122801-83-6 (Benzenepropanal,3-phenoxy-)
Benzenepropanal,3-phenoxy- structure
Product Name:Benzenepropanal,3-phenoxy-
CAS No:122801-83-6
MF:C15H14O2
MW:226.270464420319
CID:104400
PubChem ID:14468546
Update Time:2025-04-18
Benzenepropanal,3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal,3-phenoxy-
- 3-(3-PHENOXY-PHENYL)-PROPIONALDEHYDE
- ACMC-1CAD8
- AG-D-49434
- AGN-PC-001ION
- CTK4B3271
- KB-75190
- 3-(3-phenoxyphenyl)propanal
- SCHEMBL7332622
- DTXSID30560667
- Benzenepropanal, 3-phenoxy-
- 122801-83-6
-
- Inchi: 1S/C15H14O2/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-12H,5,7H2
- InChI Key: IAFFBDLQWKQKPU-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1)C1=CC=CC(=C1)CCC=O
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 221
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.094
- Boiling Point: 340.3°C at 760 mmHg
- Flash Point: 146.6°C
- Refractive Index: 1.562
- PSA: 26.3
Benzenepropanal,3-phenoxy- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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