Cas no 918531-62-1 (Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]-)
![Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]- structure](https://ossimg.kuujia.com/scimg/919000/918531-62-1x500.png)
918531-62-1 structure
Product Name:Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]-
CAS No:918531-62-1
MF:C13H18O4
MW:238.279624462128
CID:773612
PubChem ID:71426846
Update Time:2025-04-19
Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]-
- 3-[(5R)-5,6-dihydroxyhexoxy]benzaldehyde
- DTXSID40845598
- 918531-62-1
- 3-{[(5R)-5,6-Dihydroxyhexyl]oxy}benzaldehyde
-
- Inchi： 1S/C13H18O4/c14-9-11-4-3-6-13(8-11)17-7-2-1-5-12(16)10-15/h3-4,6,8-9,12,15-16H,1-2,5,7,10H2/t12-/m1/s1
- InChI Key： KMAOFMIFMWFAQP-GFCCVEGCSA-N
- SMILES： O(C1C=CC=C(C=O)C=1)CCCC[C@H](CO)O
Computed Properties
- Exact Mass: 238.12050905g/mol
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 1.1
- Topological Polar Surface Area: 66.8?2
Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
918531-62-1 (Benzaldehyde, 3-[[(5R)-5,6-dihydroxyhexyl]oxy]-) Related Products
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