Cas no 827308-16-7 (3-Hexanone, 4-(phenylmethoxy)-, (4R)-)
827308-16-7 structure
Product Name:3-Hexanone, 4-(phenylmethoxy)-, (4R)-
CAS No:827308-16-7
MF:C13H18O2
MW:206.280824184418
CID:685267
PubChem ID:71417586
Update Time:2025-04-19
3-Hexanone, 4-(phenylmethoxy)-, (4R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 4-(phenylmethoxy)-, (4R)-
- 827308-16-7
- DTXSID40836921
- (4R)-4-(Benzyloxy)hexan-3-one
-
- Inchi： 1S/C13H18O2/c1-3-12(14)13(4-2)15-10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1
- InChI Key： BNMINPKOBDOFOF-CYBMUJFWSA-N
- SMILES： O(CC1C=CC=CC=1)[C@@H](C(CC)=O)CC
Computed Properties
- Exact Mass: 206.130679813g/mol
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- 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: 2.7
- Topological Polar Surface Area: 26.3?2
3-Hexanone, 4-(phenylmethoxy)-, (4R)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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