Cas no 29462-75-7 (Acetic acid, 2-sulfo-,1-octyl ester, sodium salt (1:1))
29462-75-7 structure
Product Name:Acetic acid, 2-sulfo-,1-octyl ester, sodium salt (1:1)
CAS No:29462-75-7
MF:C10H19NaO5S
MW:274.309633493423
CID:258688
PubChem ID:23687240
Update Time:2025-04-19
Acetic acid, 2-sulfo-,1-octyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-sulfo-,1-octyl ester, sodium salt (1:1)
- sodium,2-octoxy-2-oxoethanesulfonate
- Acetic acid, sulfo-, 1-octyl ester, sodium salt
- Sodium 2-(octyloxy)-2-oxoethane-1-sulphonate
- sodium 2-(octyloxy)-2-oxoethanesulfonate
- Sodium octyl sulfoacetate
- EINECS 249-653-5
- SODIUM 2-(OCTYLOXY)-2-OXOETHANE-1-SULFONATE
- 29468-75-5
- Acetic acid, 2-sulfo-, 1-octyl ester, sodium salt (1:1)
- DTXSID5067475
- 29462-75-7
- SCHEMBL7560266
- NS00028710
-
- Inchi： 1S/C10H20O5S.Na/c1-2-3-4-5-6-7-8-15-10(11)9-16(12,13)14;/h2-9H2,1H3,(H,12,13,14);/q;+1/p-1
- InChI Key： PFDIDGFAIAAGSH-UHFFFAOYSA-M
- SMILES： S(CC(=O)OCCCCCCCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 274.08517
- Monoisotopic Mass: 274.08508916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 284
- 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: 91.9?2
Experimental Properties
- PSA: 83.5
Acetic acid, 2-sulfo-,1-octyl ester, sodium salt (1:1) Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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