Cas no 10383-88-7 (Ethanone-1-13C,1-phenyl-)
Ethanone-1-13C,1-phenyl- structure
Product Name:Ethanone-1-13C,1-phenyl-
CAS No:10383-88-7
MF:C8H8O
MW:121.141177177429
CID:118568
PubChem ID:12196845
Update Time:2025-04-18
Ethanone-1-13C,1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone-1-13C,1-phenyl-
- ACETOPHENONE, [CARBONYL-13C]
- Acetophenone-carbonyl-13C
- 1-phenyl(113C)ethanone
- Acetophenone-alpha-13C, 99 atom % 13C
- Acetophenone-alpha-13C
- 10383-88-7
-
- Inchi： 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i7+1
- InChI Key： KWOLFJPFCHCOCG-CDYZYAPPSA-N
- SMILES： O=[13C](C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 120.05754
- Monoisotopic Mass: 121.060869710g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 101
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.039?g/mL?at 25?°C
- Melting Point: 19-20?°C(lit.)
- Boiling Point: 202?°C(lit.)
- Flash Point: 180?°F
- Refractive Index: n20/D 1.5325(lit.)
- PSA: 17.07
Ethanone-1-13C,1-phenyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
10383-88-7 (Ethanone-1-13C,1-phenyl-) Related Products
- 643-65-2(3-Methylbenzophenone)
- 34246-54-3(3-Ethylbenzaldehyde)
- 10210-32-9(2-Acetylanthracene)
- 2932-65-2(4-n-Propylacetophenone)
- 93-08-3(2'-Acetonaphthone)
- 611-97-2(4,4'-Dimethylbenzophenone)
- 134-84-9(4-Methylbenzophenone)
- 122-00-9(4'-Methylacetophenone)
- 645-13-6(4'-Isopropylacetophenone)
- 98-86-2(Acetophenone)
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