Cas no 29444-28-8 (Acetic acid, 2-sulfo-,decyl ester, sodium salt (1:1))
29444-28-8 structure
Product Name:Acetic acid, 2-sulfo-,decyl ester, sodium salt (1:1)
CAS No:29444-28-8
MF:C12H23NaO5S
MW:302.362794160843
CID:263041
PubChem ID:23687237
Update Time:2025-04-19
Acetic acid, 2-sulfo-,decyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-sulfo-,decyl ester, sodium salt (1:1)
- sodium,2-decoxy-2-oxoethanesulfonate
- Acetic acid, sulfo-, 1-decyl ester, sodium salt
- Sodium 2-(decyloxy)-2-oxoethane-1-sulphonate
- sodium 2-(decyloxy)-2-oxoethanesulfonate
- Sodium decyl sulfoacetate
- NS00028698
- DTXSID1067469
- 97PK2UBO1L
- UNII-97PK2UBO1L
- 29444-28-8
- Acetic acid, 2-sulfo-, decyl ester, sodium salt (1:1)
- EINECS 249-629-4
-
- Inchi： 1S/C12H24O5S.Na/c1-2-3-4-5-6-7-8-9-10-17-12(13)11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);/q;+1/p-1
- InChI Key： NCGPNILRARPETC-UHFFFAOYSA-M
- SMILES： S(CC(=O)OCCCCCCCCCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 302.11649
- Monoisotopic Mass: 302.11638929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 12
- Complexity: 311
- 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-,decyl ester, sodium salt (1:1) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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