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1029432-03-8 | 2,4-Thiazoledicarboxylic acid,4-(1,1-dimethylethyl) ester
CAS No: 1029432-03-8 Catalog No: AG003FVP MDL No:
Product Description
Catalog Number:
AG003FVP
Chemical Name:
2,4-Thiazoledicarboxylic acid,4-(1,1-dimethylethyl) ester
CAS Number:
1029432-03-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C9H11NO4S/c1-9(2,3)14-8(13)5-4-15-6(10-5)7(11)12/h4H,1-3H3,(H,11,12)
InChI Key:
HXSOUSOCQNWIQP-UHFFFAOYSA-N
SMILES:
O=C(c1csc(n1)C(=O)O)OC(C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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