Cas no 54160-73-5 (2-Propyn-1-one, 1,1'-(1,2-phenylene)bis-)
54160-73-5 structure
Product Name:2-Propyn-1-one, 1,1'-(1,2-phenylene)bis-
CAS No:54160-73-5
MF:C12H6O2
MW:182.17484331131
CID:355258
PubChem ID:11194689
Update Time:2025-04-19
2-Propyn-1-one, 1,1'-(1,2-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyn-1-one, 1,1'-(1,2-phenylene)bis-
- 1-(2-prop-2-ynoylphenyl)prop-2-yn-1-one
- 54160-73-5
- DTXSID30458292
- 1,1'-(1,2-Phenylene)bis(prop-2-yn-1-one)
- 1,2-bis(propiolyl)benzene
-
- Inchi： 1S/C12H6O2/c1-3-11(13)9-7-5-6-8-10(9)12(14)4-2/h1-2,5-8H
- InChI Key： QIBLQPVRHLYJBA-UHFFFAOYSA-N
- SMILES： O=C(C#C)C1C=CC=CC=1C(C#C)=O
Computed Properties
- Exact Mass: 182.03678
- Monoisotopic Mass: 182.036779430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 311
- 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: 2.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2-Propyn-1-one, 1,1'-(1,2-phenylene)bis- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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