Cas no 64394-35-0 (1-(2,3,4-Trimethylphenyl)propan-2-one)
64394-35-0 structure
Product Name:1-(2,3,4-Trimethylphenyl)propan-2-one
CAS No:64394-35-0
MF:C12H16O
MW:176.254843711853
CID:2791991
PubChem ID:71371849
Update Time:2025-04-21
1-(2,3,4-Trimethylphenyl)propan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,3,4-Trimethylphenyl)propan-2-one
- DTXCID20745502
- 64394-35-0
- DTXSID40794759
-
- Inchi： 1S/C12H16O/c1-8-5-6-12(7-9(2)13)11(4)10(8)3/h5-6H,7H2,1-4H3
- InChI Key： XGMFNDOKTBJBSX-UHFFFAOYSA-N
- SMILES： O=C(C)CC1C=CC(C)=C(C)C=1C
Computed Properties
- Exact Mass: 176.120115130Da
- Monoisotopic Mass: 176.120115130Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 2.6
- Topological Polar Surface Area: 17.1?2
1-(2,3,4-Trimethylphenyl)propan-2-one Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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