Cas no 51149-70-3 (1-ethoxyheptan-2-one)
1-ethoxyheptan-2-one structure
Product Name:1-ethoxyheptan-2-one
1-ethoxyheptan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-ethoxyheptan-2-one
- 1-Ethoxy-2-heptanone
- 1-Ethoxy-heptan-2-one
- 1-etoxi-heptan-2-one
- 51149-70-3
- 2-Heptanone, 1-ethoxy-
- LGSYULXFQRQZRH-UHFFFAOYSA-N
- NSC244920
- NSC-244920
- DTXSID10199171
- NSC 244920
- 1-Ethoxy-2-heptanone #
- AKOS013907528
-
- Inchi： 1S/C9H18O2/c1-3-5-6-7-9(10)8-11-4-2/h3-8H2,1-2H3
- InChI Key： LGSYULXFQRQZRH-UHFFFAOYSA-N
- SMILES： O(CC)CC(CCCCC)=O
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 99.7
- 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: 2.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-ethoxyheptan-2-one Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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