Cas no 70745-43-6 (Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl-)
70745-43-6 structure
Product Name:Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl-
CAS No:70745-43-6
MF:C14H18O2
MW:218.291524410248
CID:546744
PubChem ID:13282020
Update Time:2025-04-19
Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl-
- 2-(3-methoxyphenyl)-4-methylcyclohexan-1-one
- 2-(m-Methoxyphenyl)-4-methyl-cyclohexanone
- DTXSID70534504
- SCHEMBL11194330
- SXFRZBNKPBKZOJ-UHFFFAOYSA-N
- 70745-43-6
-
- Inchi： 1S/C14H18O2/c1-10-6-7-14(15)13(8-10)11-4-3-5-12(9-11)16-2/h3-5,9-10,13H,6-8H2,1-2H3
- InChI Key： SXFRZBNKPBKZOJ-UHFFFAOYSA-N
- SMILES： O=C1CCC(C)CC1C1C=CC=C(C=1)OC
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: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Divya Kamath,Daisuke Minakata Environ. Sci.: Water Res. Technol., 2018,4, 1231-1238
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
70745-43-6 (Cyclohexanone, 2-(3-methoxyphenyl)-4-methyl-) Related Products
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