Cas no 114195-69-6 (1-(2-acetylphenyl)propan-1-one)
114195-69-6 structure
Product Name:1-(2-acetylphenyl)propan-1-one
CAS No:114195-69-6
MF:C11H12O2
MW:176.211783409119
CID:2612485
PubChem ID:13828258
Update Time:2025-04-21
1-(2-acetylphenyl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-acetylphenyl)propan-1-one
- 1-Acetyl-2-propionylbenzol
- DTXCID10501432
- DTXSID70550648
- SCHEMBL2633244
- 114195-69-6
-
- Inchi： 1S/C11H12O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3
- InChI Key： HTJSJXAHKLEWHK-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C=CC=CC=1C(C)=O
Computed Properties
- Exact Mass: 176.083729621Da
- Monoisotopic Mass: 176.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 2
- Topological Polar Surface Area: 34.1?2
1-(2-acetylphenyl)propan-1-one Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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