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29508-16-5 | Acetic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
CAS No: 29508-16-5 Catalog No: AG002YLV MDL No:MFCD11044485
Product Description
Catalog Number:
AG002YLV
Chemical Name:
Acetic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
CAS Number:
29508-16-5
Molecular Formula:
C3H6NaO5S
Molecular Weight:
177.1315
MDL Number:
MFCD11044485
IUPAC Name:
sodium;2-methoxy-2-oxoethanesulfonate
InChI:
InChI=1S/C3H6O5S.Na/c1-8-3(4)2-9(5,6)7;/h2H2,1H3,(H,5,6,7);/q;+1/p-1
InChI Key:
WBBRPXWDTRIWHQ-UHFFFAOYSA-M
SMILES:
COC(=O)CS(=O)(=O)O.[Na]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.118g/mol
Monoisotopic Mass:
175.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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