Cas no 342423-70-5 (1-Hexanone, 1-(3-methoxyphenyl)-)
342423-70-5 structure
Product Name:1-Hexanone, 1-(3-methoxyphenyl)-
CAS No:342423-70-5
MF:C13H18O2
MW:206.280824184418
CID:1462956
PubChem ID:12399427
Update Time:2025-04-20
1-Hexanone, 1-(3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone, 1-(3-methoxyphenyl)-
- 1-(3-Methoxyphenyl)hexan-1-one
- 1-(3-Methoxy-phenyl)-hexan-1-one
- HS-4455
- 342423-70-5
- AKOS006227255
-
- MDL： MFCD16819285
- Inchi： 1S/C13H18O2/c1-3-4-5-9-13(14)11-7-6-8-12(10-11)15-2/h6-8,10H,3-5,9H2,1-2H3
- InChI Key： BXIFZXMIPGLEPY-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1)OC)CCCCC
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 189
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-Hexanone, 1-(3-methoxyphenyl)- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
342423-70-5 (1-Hexanone, 1-(3-methoxyphenyl)-) Related Products
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