Cas no 130486-78-1 (2-Heptanone,7-hydroxy-6-methyl-, (R)- (9CI))
130486-78-1 structure
Product Name:2-Heptanone,7-hydroxy-6-methyl-, (R)- (9CI)
CAS No:130486-78-1
MF:C8H16O2
MW:144.211442947388
CID:105418
PubChem ID:14078299
Update Time:2025-04-18
2-Heptanone,7-hydroxy-6-methyl-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone,7-hydroxy-6-methyl-, (R)- (9CI)
- 130486-78-1
- (6R)-7-Hydroxy-6-methylheptan-2-one
- 2-Heptanone, 7-hydroxy-6-methyl-, (R)- (9CI)
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- Inchi： 1S/C8H16O2/c1-7(6-9)4-3-5-8(2)10/h7,9H,3-6H2,1-2H3/t7-/m1/s1
- InChI Key： GWRSINQMTFUHBY-SSDOTTSWSA-N
- SMILES： OC[C@H](C)CCCC(C)=O
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Heptanone,7-hydroxy-6-methyl-, (R)- (9CI) Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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