Cas no 77945-12-1 (sodium 1-(2-hydroxyethyl)cyclohexanecarboxylate)
77945-12-1 structure
Product Name:sodium 1-(2-hydroxyethyl)cyclohexanecarboxylate
CAS No:77945-12-1
MF:C9H15NaO3
MW:194.203374147415
CID:1790227
PubChem ID:23681625
Update Time:2025-04-21
sodium 1-(2-hydroxyethyl)cyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- sodium 1-(2-hydroxyethyl)cyclohexanecarboxylate
- sodium,1-(2-hydroxyethyl)cyclohexane-1-carboxylate
- alpha,alpha-Pentamethylen-gamma-hydroxybuttersaeure natriumsalz [German]
- alpha,alpha-Pentamethylen-gamma-hydroxybuttersaeure natriumsalz
- 77945-12-1
- Cyclohexanecarboxylic acid, 1-(2-hydroxyethyl)-, sodium salt
- 1-(2-Hydroxyethyl)-cyclohexanecarboxylic acid sodium salt
- DTXSID80228609
-
- Inchi： 1S/C9H16O3.Na/c10-7-6-9(8(11)12)4-2-1-3-5-9;/h10H,1-7H2,(H,11,12);/q;+1/p-1
- InChI Key： DZWRPCHCGFERAF-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C(C1(CCO)CCCCC1)=O
Computed Properties
- Exact Mass: 194.091889
- Monoisotopic Mass: 194.091889
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 164
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4
Experimental Properties
- Boiling Point: 321°C at 760 mmHg
- Flash Point: 162.2°C
sodium 1-(2-hydroxyethyl)cyclohexanecarboxylate Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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