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1847-58-1 | Acetic acid, 2-sulfo-,dodecyl ester, sodium salt (1:1)
CAS No: 1847-58-1 Catalog No: AG0038WN MDL No:MFCD08704428
Product Description
Catalog Number:
AG0038WN
Chemical Name:
Acetic acid, 2-sulfo-,dodecyl ester, sodium salt (1:1)
CAS Number:
1847-58-1
Molecular Formula:
C14H28NaO5S
Molecular Weight:
331.4239
MDL Number:
MFCD08704428
IUPAC Name:
sodium;2-dodecoxy-2-oxoethanesulfonate
InChI:
InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1
InChI Key:
UAJTZZNRJCKXJN-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCOC(=O)CS(=O)(=O)O.[Na]
EC Number:
217-431-7
UNII:
D0Y70F2B9J
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.415g/mol
Monoisotopic Mass:
330.148g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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