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933759-69-4 | 5-(Thiazol-2-yl)isoxazole-3-carboxylic acid
CAS No: 933759-69-4 Catalog No: AG003M47 MDL No:MFCD22192337
Product Description
Catalog Number:
AG003M47
Chemical Name:
5-(Thiazol-2-yl)isoxazole-3-carboxylic acid
CAS Number:
933759-69-4
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
MDL Number:
MFCD22192337
IUPAC Name:
5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C7H4N2O3S/c10-7(11)4-3-5(12-9-4)6-8-1-2-13-6/h1-3H,(H,10,11)
InChI Key:
GJYQCDMPWRJWNG-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1nccs1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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