Cas no 388091-60-9 (1-Hexanone, 1-(4-acetylphenyl)-)
388091-60-9 structure
Product Name:1-Hexanone, 1-(4-acetylphenyl)-
CAS No:388091-60-9
MF:C14H18O2
MW:218.291524410248
CID:1491939
PubChem ID:12565112
Update Time:2025-04-21
1-Hexanone, 1-(4-acetylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone, 1-(4-acetylphenyl)-
- 1-(4-acetylphenyl)hexan-1-one
- 388091-60-9
- DTXSID60502737
-
- Inchi： 1S/C14H18O2/c1-3-4-5-6-14(16)13-9-7-12(8-10-13)11(2)15/h7-10H,3-6H2,1-2H3
- InChI Key： SBJWEJUSRUFNAM-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(C)=O)=CC=1)CCCCC
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 237
- 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: 3.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1-Hexanone, 1-(4-acetylphenyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
388091-60-9 (1-Hexanone, 1-(4-acetylphenyl)-) Related Products
- 37920-25-5(4'-Butylacetophenone)
- 3375-38-0(1,6-Diphenyl-1,6-hexanedione)
- 120-46-7(Dibenzoylmethane)
- 1009-14-9(Valerophenone)
- 1671-77-8(4’-Methylvalerophenone)
- 27465-51-6(1-(4-Ethylphenyl)propan-1-one)
- 51772-30-6(3'-Methylpropiophenone)
- 5337-93-9(4-Methylpropiophenone)
- 495-40-9(N-Butyrophenone)
- 495-71-6(1,2-Dibenzoylethane)
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