Cas no 947-14-8 (Phenylacetone-1,1,3,3,3-d5)
Phenylacetone-1,1,3,3,3-d5 structure
Product Name:Phenylacetone-1,1,3,3,3-d5
CAS No:947-14-8
MF:C9H10O
MW:139.205911159515
CID:1065837
PubChem ID:12200309
Update Time:2025-04-20
Phenylacetone-1,1,3,3,3-d5 Chemical and Physical Properties
Names and Identifiers
-
- Phenylacetone-1,1,3,3,3-d5
- Phenylacetone-d5
- 1,1,1,3,3-pentadeuterio-3-phenylpropan-2-one
- 1,1,1,3,3-pentadeuterio-3-phenyl-propan-2-one
- 1-Phenyl-1,1,3,3,3-pentadeuteropropan-2-on
- 1-Phenyl-2-propanone-d5
- 3-Phenyl-2-propanone-1,1,1,3,3-d5
- 3-Phenyl-2-propanone-d5
- A-Phenylacetone-d5
- Benzyl Methyl Ketone-d5
- Methyl Benzyl Ketone-d5
- Phenyl-2-propanon-1,1,3,3,3-d5
- Phenyl-2-propanone-d5
- Phenylaceton-1,1,1,3,3-d5
- Phenylaceton-d5
- Phenylmethyl Methyl Ketone-d5
- Phenylpentadeuteriopropanon
- 947-14-8
- ES3WT7W93D
- 2-Propanone-1,1,1,3,3-d5, 3-phenyl-
- UNII-ES3WT7W93D
- Phenylacetone D5
- 2-Propanone-d5, 1-phenyl-
- DTXSID10480152
- DB-321379
-
- Inchi： 1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/i1D3,7D2
- InChI Key： QCCDLTOVEPVEJK-WRMAMSRYSA-N
- SMILES： O=C(C([2H])([2H])[2H])C([2H])([2H])C1C=CC=CC=1
Computed Properties
- Exact Mass: 134.07300
- Monoisotopic Mass: 139.104548668g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 112
- 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: 1.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 1.81810
Phenylacetone-1,1,3,3,3-d5 Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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