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2166747-38-0 | 2-(ethoxycarbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CAS No: 2166747-38-0 Catalog No: AG01FIYY MDL No:
Product Description
Catalog Number:
AG01FIYY
Chemical Name:
2-(ethoxycarbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CAS Number:
2166747-38-0
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
IUPAC Name:
2-ethoxycarbonyl-5-methyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H9NO4S/c1-3-13-8(12)6-9-5(7(10)11)4(2)14-6/h3H2,1-2H3,(H,10,11)
InChI Key:
UUORYRLMSXSVLB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(n1)C(=O)O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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