Cas no 108896-08-8 (1-(3-methylphenyl)octan-1-one)
1-(3-methylphenyl)octan-1-one structure
Product Name:1-(3-methylphenyl)octan-1-one
CAS No:108896-08-8
MF:C15H22O
MW:218.334584712982
CID:1186447
PubChem ID:13619443
Update Time:2025-04-20
1-(3-methylphenyl)octan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-methylphenyl)octan-1-one
- AKOS012716931
- ACMC-20mbw4
- m-methyloctanophenone
- CTK0G2583
- 1-Octanone, 1-(3-methylphenyl)-
- AGN-PC-00NB9F
- AKOS012716931; ACMC-20mbw4; m-methyloctanophenone; CTK0G2583; 1-Octanone, 1-(3-methylphenyl)-; AGN-PC-00NB9F;
- 108896-08-8
- DTXSID30545176
- 1-m-Tolyl-octan-1-one
-
- Inchi： 1S/C15H22O/c1-3-4-5-6-7-11-15(16)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3
- InChI Key： WZJFRMFZJLTHMF-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1)CCCCCCC
Computed Properties
- Exact Mass: 218.16716
- Monoisotopic Mass: 218.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 198
- 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: 5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-(3-methylphenyl)octan-1-one Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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