Cas no 7498-87-5 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2-Phenyl-3,4-dihydro-1(2H)-naphthalenone
- 2-phenyl-3,4-dihydro-2H-naphthalen-1-one
- NSC-407595
- DTXSID70324720
- SCHEMBL15292027
- phenyl tetralone
- SCHEMBL4810645
- 2-phenyl-1-tetralone
- DVIUIRUQKVUCNG-UHFFFAOYSA-N
- NSC407595
- phenyltetralone
- 7498-87-5
- 2-phenyl-1,2,3,4-tetrahydronaphthalen-1-one
-
-
- Inchi： 1S/C16H14O/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
- InChI Key： DVIUIRUQKVUCNG-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2CCC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 222.10452
- Monoisotopic Mass: 222.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.128
- Boiling Point: 374.7°C at 760 mmHg
- Flash Point: 164.2°C
- Refractive Index: 1.602
- PSA: 17.07
- LogP: 3.59930
Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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