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251577-82-9 | 5-Thiazolecarboxylic acid, 4,5-dihydro-2-(hydroxyamino)-4-oxo-, ethyl ester
CAS No: 251577-82-9 Catalog No: AG002QOQ MDL No:
Product Description
Catalog Number:
AG002QOQ
Chemical Name:
5-Thiazolecarboxylic acid, 4,5-dihydro-2-(hydroxyamino)-4-oxo-, ethyl ester
CAS Number:
251577-82-9
Molecular Formula:
C6H8N2O4S
Molecular Weight:
204.2037
IUPAC Name:
ethyl 2-hydroxyimino-4-oxo-1,3-thiazolidine-5-carboxylate
InChI:
InChI=1S/C6H8N2O4S/c1-2-12-5(10)3-4(9)7-6(8-11)13-3/h3,11H,2H2,1H3,(H,7,8,9)
InChI Key:
JDXRIWWRMLSTIR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SC(=NC1=O)NO
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.2g/mol
Monoisotopic Mass:
204.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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