Cas no 108062-25-5 (3-(4-methoxyphenyl)cycloheptan-1-one)
108062-25-5 structure
Product Name:3-(4-methoxyphenyl)cycloheptan-1-one
CAS No:108062-25-5
MF:C14H18O2
MW:218.291524410248
CID:1185102
PubChem ID:64505739
Update Time:2025-04-20
3-(4-methoxyphenyl)cycloheptan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-methoxyphenyl)cycloheptan-1-one
- 3-(4-Methoxy-phenyl)-cycloheptanon
- 3-(p-methoxyphenyl)cycloheptanone
- CTK0G2835
- ACMC-20mbaz
- 3-(4-methoxy-phenyl)-cycloheptanone
- 3-(4-methoxyphenyl)cycloheptanone
- AKOS013830041
- Cycloheptanone, 3-(4-methoxyphenyl)-
- 3-(4-Methoxy-phenyl)-cycloheptanon; 3-(p-methoxyphenyl)cycloheptanone; CTK0G2835; ACMC-20mbaz; 3-(4-methoxy-phenyl)-cycloheptanone; 3-(4-methoxyphenyl)cycloheptanone; AKOS013830041; Cycloheptanone, 3-(4-methoxyphenyl)-;
- DTXSID20734774
- 108062-25-5
-
- Inchi： 1S/C14H18O2/c1-16-14-8-6-11(7-9-14)12-4-2-3-5-13(15)10-12/h6-9,12H,2-5,10H2,1H3
- InChI Key： IQFLTDZYVXPUCE-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(C2C=CC(=CC=2)OC)C1
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-(4-methoxyphenyl)cycloheptan-1-one Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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