Cas no 68427-22-5 (2-Butanone, 4-(6-hydroxy-2-naphthalenyl)-)
68427-22-5 structure
Product Name:2-Butanone, 4-(6-hydroxy-2-naphthalenyl)-
CAS No:68427-22-5
MF:C14H14O2
MW:214.259764194489
CID:393210
PubChem ID:71374602
Update Time:2025-04-19
2-Butanone, 4-(6-hydroxy-2-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-(6-hydroxy-2-naphthalenyl)-
- 4-(6-hydroxynaphthalen-2-yl)butan-2-one
- CHEBI:143432
- 4-(6-hydroxy-2-naphthyl)-butan-2-one
- CHEMBL3278706
- 9161F1HY4G
- UNII-9161F1HY4G
- SCHEMBL21556072
- 4-(6-Hydroxy-2-naphthalenyl)-2-butanone
- Q27271382
- 68427-22-5
- DTXSID90797376
-
- Inchi： 1S/C14H14O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9,16H,2-3H2,1H3
- InChI Key： MLTSMDXZECLWCK-UHFFFAOYSA-N
- SMILES： OC1C=CC2C=C(C=CC=2C=1)CCC(C)=O
Computed Properties
- Exact Mass: 214.09942
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 249
- 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: 2.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Butanone, 4-(6-hydroxy-2-naphthalenyl)- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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