Cas no 139889-57-9 (Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)-)
139889-57-9 structure
Product Name:Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)-
CAS No:139889-57-9
MF:C8H15NaO2
MW:166.19327378273
CID:191330
PubChem ID:24884457
Update Time:2025-04-19
Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)-
- Hexanoicacid, 2-ethyl-, sodium salt, (S)- (9CI)
- sodium,(2S)-2-ethylhexanoate
- Q27262350
- J458.026E
- 5IR5TMQ2MC
- Sodium 2-ethylhexanoate, (S)-
- sodium;(2S)-2-ethylhexanoate
- 139889-57-9
- UNII-5IR5TMQ2MC
- HEXANOIC ACID, 2-ETHYL-, SODIUM SALT (1:1), (2S)-
- SODIUM 2-ETHYLHEXANOATE, (+)-
- Hexanoic acid, 2-ethyl-, sodium salt, (S)-
- (S)-2-Ethylhexanoic acid sodium salt
- (S)-sodium 2-ethylhexanoate
-
- Inchi： 1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1/t7-;/m0./s1
- InChI Key： VYPDUQYOLCLEGS-FJXQXJEOSA-M
- SMILES： [Na+].[O-]C([C@@H](CC)CCCC)=O
Computed Properties
- Exact Mass: 166.09697400g/mol
- Monoisotopic Mass: 166.09697400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 104
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1?2
Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)- Related Literature
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Laurent Vanoye,Mertxe Pablos,Neil Smith,Claude de Bellefon,Alain Favre-Réguillon RSC Adv. 2014 4 57159
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Zhaofu Zhang,Shuaishuai Liu,Jun Ma,Tianbin Wu RSC Adv. 2021 11 15748
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O. L. Sydora,R. T. Hart,N. A. Eckert,E. Martinez Baez,A. E. Clark,C. J. Benmore Dalton Trans. 2018 47 4790
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Wey Yang Teoh,Rose Amal,Lutz M?dler Nanoscale 2010 2 1324
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Martin T. Matter,Meagan Doppegieter,Alexander Gogos,Kerda Keevend,Qun Ren,Inge K. Herrmann Nanoscale 2021 13 8224
139889-57-9 (Hexanoic acid,2-ethyl-, sodium salt (1:1), (2S)-) Related Products
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