Home Other Building Blocks sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate

sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate

CAS No.:
1221722-48-0
Catalog Number:
AG01A83O
Molecular Formula:
C9H12NNaO2S
Molecular Weight:
221.2518
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Product Description
Catalog Number:
AG01A83O
Chemical Name:
sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
CAS Number:
1221722-48-0
Molecular Formula:
C9H12NNaO2S
Molecular Weight:
221.2518
MDL Number:
MFCD15209605
IUPAC Name:
sodium;2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
InChI:
InChI=1S/C9H13NO2S.Na/c1-9(2,3)6-5-13-7(10-6)4-8(11)12;/h5H,4H2,1-3H3,(H,11,12);/q;+1/p-1
InChI Key:
FWEHHLQBWRQDDN-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1scc(n1)C(C)(C)C.[Na+]
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.25g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties