Cas no 50454-37-0 (Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]-)
![Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]- structure](https://ossimg.kuujia.com/scimg/50500/50454-37-0x500.png)
50454-37-0 structure
Product Name:Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]-
CAS No:50454-37-0
MF:C20H14O4
MW:318.322765827179
CID:364857
PubChem ID:71366580
Update Time:2025-04-19
Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]-
- 2-(3-naphthalen-2-yl-3-oxopropanoyl)benzoic acid
- DTXSID10789935
- 50454-37-0
- 2-(3-(Naphthalen-2-yl)-3-oxopropanoyl)benzoic acid
- 2-[3-(Naphthalen-2-yl)-3-oxopropanoyl]benzoic acid
-
- Inchi： 1S/C20H14O4/c21-18(15-10-9-13-5-1-2-6-14(13)11-15)12-19(22)16-7-3-4-8-17(16)20(23)24/h1-11H,12H2,(H,23,24)
- InChI Key： WOLGZGHJEAPNDC-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1C(=O)O)=O)C1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 318.08922
- Monoisotopic Mass: 318.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 498
- 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: 3.9
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.44
Benzoic acid, 2-[3-(2-naphthalenyl)-1,3-dioxopropyl]- Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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