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1394941-05-9 | 4-Thiazolecarboxylic acid, 5-[(ethoxycarbonyl)amino]-, ethyl ester
CAS No: 1394941-05-9 Catalog No: AG001B4E MDL No:
Product Description
Catalog Number:
AG001B4E
Chemical Name:
4-Thiazolecarboxylic acid, 5-[(ethoxycarbonyl)amino]-, ethyl ester
CAS Number:
1394941-05-9
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
ethyl 5-(ethoxycarbonylamino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H12N2O4S/c1-3-14-8(12)6-7(16-5-10-6)11-9(13)15-4-2/h5H,3-4H2,1-2H3,(H,11,13)
InChI Key:
GFAFBQYAAXYHDJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1scnc1C(=O)OCC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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