Cas no 824424-57-9 (2-Naphthalenepropanoic acid, b-oxo-)
824424-57-9 structure
Product Name:2-Naphthalenepropanoic acid, b-oxo-
CAS No:824424-57-9
MF:C13H10O3
MW:214.216703891754
CID:691099
PubChem ID:9813438
Update Time:2025-04-19
2-Naphthalenepropanoic acid, b-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenepropanoic acid, b-oxo-
- 3-naphthalen-2-yl-3-oxopropanoic acid
- Beta-oxo-2-naphthalenepropanoic acid
- DTXSID60431073
- FT-0738374
- 824424-57-9
- SCHEMBL3373461
-
- Inchi： 1S/C13H10O3/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,15,16)
- InChI Key： QZRKIGAZHXSODT-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)O)C1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 214.062994177g/mol
- Monoisotopic Mass: 214.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 2.6
- Topological Polar Surface Area: 54.4?2
2-Naphthalenepropanoic acid, b-oxo- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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