Cas no 113779-18-3 (1-(benzo[e]pyren-4-yl)ethanone)
![1-(benzo[e]pyren-4-yl)ethanone structure](https://ossimg.kuujia.com/scimg/114000/113779-18-3x500.png)
113779-18-3 structure
Product Name:1-(benzo[e]pyren-4-yl)ethanone
CAS No:113779-18-3
MF:C22H14O
MW:294.345965862274
CID:1201242
PubChem ID:188806
Update Time:2025-04-20
1-(benzo[e]pyren-4-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(benzo[e]pyren-4-yl)ethanone
- 4-acetylbenzo[e]pyrene
- Ethanone, 1-benzo(e)pyren-4-yl-
- 1-Benzo(e)pyren-4-ylethanone
- 1-(Benzo[e]pyren-4-yl)ethan-1-one
- 1-benzo[e]pyren-4-ylethanon
- 113779-18-3
- DTXSID40921189
- AKOS015904901
-
- Inchi： 1S/C22H14O/c1-13(23)20-12-14-6-4-9-17-15-7-2-3-8-16(15)18-10-5-11-19(20)22(18)21(14)17/h2-12H,1H3
- InChI Key： HIHZAFZPEKOQLW-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=C2C=CC=C3C4C=CC=CC=4C4=CC=CC=1C4=C32
Computed Properties
- Exact Mass: 294.10452
- Monoisotopic Mass: 294.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 482
- 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: 6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-(benzo[e]pyren-4-yl)ethanone Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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
113779-18-3 (1-(benzo[e]pyren-4-yl)ethanone) Related Products
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- 784-04-3(1-(anthracen-9-yl)ethan-1-one)
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- 642-29-5(1-Benzoylnaphthalene)
- 3264-21-9(1-Acetylpyrene)
- 2039-76-1(3-Acetylphenanthrene)
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