Cas no 112114-43-9 (methyl 5-acetyl-6-oxoheptanoate)
112114-43-9 structure
Product Name:methyl 5-acetyl-6-oxoheptanoate
CAS No:112114-43-9
MF:C10H16O4
MW:200.231643676758
CID:2608069
PubChem ID:13979948
Update Time:2025-04-21
methyl 5-acetyl-6-oxoheptanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-acetyl-6-oxoheptanoate
- 112114-43-9
- DTXSID20553720
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- Inchi： 1S/C10H16O4/c1-7(11)9(8(2)12)5-4-6-10(13)14-3/h9H,4-6H2,1-3H3
- InChI Key： XFTNGJBXUKGYQM-UHFFFAOYSA-N
- SMILES： O=C(C)C(C(C)=O)CCCC(=O)OC
Computed Properties
- Exact Mass: 200.10485899Da
- Monoisotopic Mass: 200.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 218
- 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: 0.4
- Topological Polar Surface Area: 60.4?2
methyl 5-acetyl-6-oxoheptanoate 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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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