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1529452-25-2 | SODIUM (5-METHYL-1,2-OXAZOL-3-YL)METHANESULFINATE
CAS No: 1529452-25-2 Catalog No: AG01C89K MDL No:MFCD24113354
Product Description
Catalog Number:
AG01C89K
Chemical Name:
SODIUM (5-METHYL-1,2-OXAZOL-3-YL)METHANESULFINATE
CAS Number:
1529452-25-2
Molecular Formula:
C5H6NNaO3S
Molecular Weight:
183.1608
MDL Number:
MFCD24113354
IUPAC Name:
sodium;(5-methyl-1,2-oxazol-3-yl)methanesulfinate
InChI:
InChI=1S/C5H7NO3S.Na/c1-4-2-5(6-9-4)3-10(7)8;/h2H,3H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:
WQTGGKGAEKHGPV-UHFFFAOYSA-M
SMILES:
[O-]S(=O)Cc1cc(on1)C.[Na+]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.157g/mol
Monoisotopic Mass:
182.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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