Cas no 67917-07-1 (2-Heptanone, 6-methoxy-)
2-Heptanone, 6-methoxy- structure
Product Name:2-Heptanone, 6-methoxy-
CAS No:67917-07-1
MF:C8H16O2
MW:144.211442947388
CID:393939
PubChem ID:20583781
Update Time:2025-04-19
2-Heptanone, 6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 6-methoxy-
- 6-methoxyheptan-2-one
- DTXSID40608948
- 67917-07-1
-
- Inchi： 1S/C8H16O2/c1-7(9)5-4-6-8(2)10-3/h8H,4-6H2,1-3H3
- InChI Key： CIFLVRHMLVEGJA-UHFFFAOYSA-N
- SMILES： O(C)C(C)CCCC(C)=O
Computed Properties
- Exact Mass: 144.115029749g/mol
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 26.3?2
2-Heptanone, 6-methoxy- 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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
67917-07-1 (2-Heptanone, 6-methoxy-) Related Products
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