Cas no 90831-82-6 (3-Octanone, 1-(4-methoxyphenyl)-)
90831-82-6 structure
Product Name:3-Octanone, 1-(4-methoxyphenyl)-
CAS No:90831-82-6
MF:C15H22O2
MW:234.333984851837
CID:788378
PubChem ID:71429071
Update Time:2025-04-19
3-Octanone, 1-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Octanone, 1-(4-methoxyphenyl)-
- 1-(4-methoxyphenyl)octan-3-one
- 90831-82-6
- DTXSID80847773
-
- Inchi： 1S/C15H22O2/c1-3-4-5-6-14(16)10-7-13-8-11-15(17-2)12-9-13/h8-9,11-12H,3-7,10H2,1-2H3
- InChI Key： NZUGOPPXTDAVIU-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC(=CC=1)OC)CCCCC
Computed Properties
- Exact Mass: 234.161979940g/mol
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 205
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
3-Octanone, 1-(4-methoxyphenyl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
90831-82-6 (3-Octanone, 1-(4-methoxyphenyl)-) Related Products
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