Cas no 88711-71-1 (Methanone, (2-methyl-1,5-cycloheptadien-1-yl)phenyl-)
88711-71-1 structure
Product Name:Methanone, (2-methyl-1,5-cycloheptadien-1-yl)phenyl-
CAS No:88711-71-1
MF:C15H16O
MW:212.286944389343
CID:623612
PubChem ID:71319748
Update Time:2025-04-19
Methanone, (2-methyl-1,5-cycloheptadien-1-yl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-methyl-1,5-cycloheptadien-1-yl)phenyl-
- (2-methylcyclohepta-1,5-dien-1-yl)-phenylmethanone
- 88711-71-1
- (2-Methylcyclohepta-1,5-dien-1-yl)(phenyl)methanone
- DTXSID60749746
-
- Inchi： 1S/C15H16O/c1-12-8-4-2-7-11-14(12)15(16)13-9-5-3-6-10-13/h2-3,5-7,9-10H,4,8,11H2,1H3
- InChI Key： GQLAIMFPEALICL-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1CC=CCCC=1C
Computed Properties
- Exact Mass: 212.120115130g/mol
- Monoisotopic Mass: 212.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 316
- 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: 3.4
- Topological Polar Surface Area: 17.1?2
Methanone, (2-methyl-1,5-cycloheptadien-1-yl)phenyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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