Cas no 84219-62-5 (4,6-Nonanediol)
4,6-Nonanediol structure
Product Name:4,6-Nonanediol
CAS No:84219-62-5
MF:C9H20O2
MW:160.253903388977
CID:667531
PubChem ID:12641371
Update Time:2025-04-19
4,6-Nonanediol Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Nonanediol
- nonane-4,6-diol
- dl-4,6-Nonandiol
- SCHEMBL3096199
- DTXSID00505368
- 84219-62-5
-
- Inchi： 1S/C9H20O2/c1-3-5-8(10)7-9(11)6-4-2/h8-11H,3-7H2,1-2H3
- InChI Key： VDZVHCDRFIJZKX-UHFFFAOYSA-N
- SMILES： OC(CCC)CC(CCC)O
Computed Properties
- Exact Mass: 160.14600
- Monoisotopic Mass: 160.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 73.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 1.69850
4,6-Nonanediol Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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