Cas no 87976-14-5 (1,4-Naphthalenedione, 2-acetyl-3-(2-propenyl)-)
87976-14-5 structure
Product Name:1,4-Naphthalenedione, 2-acetyl-3-(2-propenyl)-
CAS No:87976-14-5
MF:C15H12O3
MW:240.253984451294
CID:649735
PubChem ID:13122626
Update Time:2025-04-19
1,4-Naphthalenedione, 2-acetyl-3-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Naphthalenedione, 2-acetyl-3-(2-propenyl)-
- 2-acetyl-3-prop-2-enylnaphthalene-1,4-dione
- 87976-14-5
- DTXSID20519588
- 2-Acetyl-3-(prop-2-en-1-yl)naphthalene-1,4-dione
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- Inchi： 1S/C15H12O3/c1-3-6-12-13(9(2)16)15(18)11-8-5-4-7-10(11)14(12)17/h3-5,7-8H,1,6H2,2H3
- InChI Key： BIFLISQCBYQTMK-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C(C(C)=O)=C1CC=C)=O
Computed Properties
- Exact Mass: 240.078644241g/mol
- Monoisotopic Mass: 240.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 456
- 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: 2
- Topological Polar Surface Area: 51.2?2
1,4-Naphthalenedione, 2-acetyl-3-(2-propenyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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