Cas no 495-74-9 (2,4-Hexadiyn-1-one,1-phenyl-)
2,4-Hexadiyn-1-one,1-phenyl- structure
Product Name:2,4-Hexadiyn-1-one,1-phenyl-
2,4-Hexadiyn-1-one,1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiyn-1-one,1-phenyl-
- 1-PHENYL-2,4-HEXADIYN-1-ONE
- 1-phenylhexa-2,4-diyn-1-one
- 2,4-Hexadiynophenone
- Capillin
- NSC-113499
- 2,4-Hexadiyn-1-one, 1-phenyl- (9CI)
- BRN 1865168
- CHEBI:3369
- Q18012475
- C08398
- RAZOKRUZEQERLH-UHFFFAOYSA-N
- UNII-9JXZ3SJG0I
- DTXSID90197812
- 9JXZ3SJG0I
- 1-Phenyl-2,4-hexadiyn-1-one #
- AKOS006277108
- CHEMBL4540891
- 2,4-Hexadiyn-1-one, 1-phenyl-
- NSC113499
- 2, 4-Hexadiynophenone
- NSC 113499
- 1-Benzoyl-1,3-pentadiyne
- 495-74-9
- 2,4-Hexadiynophenone, 8CI
- acetophenone
- 1-Phenylethanone
- Phenyl methyl ketone
- Methyl phenyl ketone
- benzoyl methide
- Acetylbenzene
-
- Inchi： 1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
- InChI Key： RAZOKRUZEQERLH-UHFFFAOYSA-N
- SMILES： O=C(C#CC#CC)C1C=CC=CC=1
Computed Properties
- Exact Mass: 168.05754
- Monoisotopic Mass: 168.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 306
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 1.89600
2,4-Hexadiyn-1-one,1-phenyl- Related Literature
-
1. Addition of secondary amines to diacetylenic ketonesR. Mestres J. Chem. Soc. Perkin Trans. 1 1972 805
-
2. 535. The preparation of capillin and some related compounds, and of some substituted pent-4-en-2-yn-1-onesB. W. Nash,D. A. Thomas,W. K. Warburton,Thelma D. Williams J. Chem. Soc. 1965 2983
-
Bin Zan,Yuanyuan Li,Xiaoshu Sun,Tianming Wang,Rong Shi,Yueming Ma RSC Adv. 2022 12 3287
-
4. Journal: index of subjects, 1965
-
C. H. Fawcett,D. M. Spencer,R. L. Wain,Ewart R. H. Jones,M. Le Quan,C. B. Page,V. Thaller Chem. Commun. (London) 1965 422
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