Cas no 918531-61-0 (Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-)
918531-61-0 structure
Product Name:Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-
CAS No:918531-61-0
MF:C13H18O4
MW:238.279624462128
CID:773613
PubChem ID:71426847
Update Time:2025-04-19
Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-
- 3-{[(5S)-5,6-Dihydroxyhexyl]oxy}benzaldehyde
- DTXSID00845599
- 918531-61-0
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- 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-/m0/s1
- InChI Key: KMAOFMIFMWFAQP-LBPRGKRZSA-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-[[(5S)-5,6-dihydroxyhexyl]oxy]- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
918531-61-0 (Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-) Related Products
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