Cas no 449761-48-2 (1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI))
449761-48-2 structure
Product Name:1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI)
CAS No:449761-48-2
MF:C7H10O3
MW:142.152502536774
CID:327731
Update Time:2024-01-28
1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI)
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- Inchi： 1S/C7H10O3/c8-4-5-3-6(9)1-2-7(5)10/h5,8H,1-4H2
- InChI Key： XNQWPLLAKDZQGV-UHFFFAOYSA-N
- SMILES： C1(=O)CCC(=O)CC1CO
Computed Properties
- Exact Mass: 142.063
- Monoisotopic Mass: 142.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 162
- 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
- Topological Polar Surface Area: 54.4A^2
1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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2. 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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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
449761-48-2 (1,4-Cyclohexanedione, 2-(hydroxymethyl)- (9CI)) Related Products
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