Cas no 61448-29-1 (1,8-Nonanediol)
1,8-Nonanediol structure
Product Name:1,8-Nonanediol
CAS No:61448-29-1
MF:C9H20O2
MW:160.253903388977
CID:478989
PubChem ID:109452
Update Time:2025-04-19
1,8-Nonanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Nonanediol
- nonane-1,8-diol
- SCHEMBL554197
- EINECS 271-234-0
- DTXSID70276078
- 61448-29-1
- EC 271-234-0
-
- Inchi： 1S/C9H20O2/c1-9(11)7-5-3-2-4-6-8-10/h9-11H,2-8H2,1H3
- InChI Key： WBSRHBNFOLDTGU-UHFFFAOYSA-N
- SMILES： OC(C)CCCCCCCO
Computed Properties
- Exact Mass: 160.1464
- 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: 7
- Complexity: 74
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,8-Nonanediol Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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