Cas no 69688-78-4 (2,3,4-Hexanetrione, 3-oxime)
2,3,4-Hexanetrione, 3-oxime structure
Product Name:2,3,4-Hexanetrione, 3-oxime
CAS No:69688-78-4
MF:C6H9NO3
MW:143.140561819077
CID:391501
PubChem ID:136429047
Update Time:2025-04-19
2,3,4-Hexanetrione, 3-oxime Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4-Hexanetrione, 3-oxime
- 2,3,4-Hexanetrione, 3-oxime (9CI)
- 3-hydroxyiminohexane-2,4-dione
- SCHEMBL11001494
- DTXSID40724137
- 3-(Hydroxyimino)hexane-2,4-dione
- 69688-78-4
- 2,3,4-Hexanetrione,3-oxime(9ci)
-
- Inchi： 1S/C6H9NO3/c1-3-5(9)6(7-10)4(2)8/h9H,3H2,1-2H3/b6-5+
- InChI Key： GWWOIOQTICFGBT-AATRIKPKSA-N
- SMILES： O/C(=C(\C(C)=O)/N=O)/CC
Computed Properties
- Exact Mass: 143.05827
- Monoisotopic Mass: 143.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 66.7?2
Experimental Properties
- PSA: 66.73
2,3,4-Hexanetrione, 3-oxime Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
69688-78-4 (2,3,4-Hexanetrione, 3-oxime) Related Products
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