Cas no 833-27-2 (1-(1,8-dihydroxynaphthalen-2-yl)ethanone)
833-27-2 structure
Product Name:1-(1,8-dihydroxynaphthalen-2-yl)ethanone
CAS No:833-27-2
MF:C12H10O3
MW:202.206003665924
CID:1808040
PubChem ID:3083649
Update Time:2025-04-21
1-(1,8-dihydroxynaphthalen-2-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(1,8-dihydroxynaphthalen-2-yl)ethanone
- 1-(1,8-Dihydroxy-2-naphthalenyl)ethanone
- Ethanone, 1-(1,8-dihydroxy-2-naphthalenyl)-
- 1-(1,8-dihydroxynaphthalen-2-yl)ethan-1-one
- 833-27-2
- SCHEMBL12800164
- DTXSID50232253
- 1,8-Dihydroxy-2-acetylnaphthalin
-
- Inchi: 1S/C12H10O3/c1-7(13)9-6-5-8-3-2-4-10(14)11(8)12(9)15/h2-6,14-15H,1H3
- InChI Key: HPKOLISTBSBMCO-UHFFFAOYSA-N
- SMILES: CC(C1C(O)=C2C(C=CC=C2O)=CC=1)=O
Computed Properties
- Exact Mass: 202.063
- Monoisotopic Mass: 202.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 2.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.33
- Boiling Point: 402.4°C at 760 mmHg
- Flash Point: 211.3°C
- Refractive Index: 1.687
1-(1,8-dihydroxynaphthalen-2-yl)ethanone Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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