Home Carboxys 2-(furan-3-yl)-1,3-thiazole-5-carboxylic acid

2-(furan-3-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1333946-90-9
Catalog Number:
AG01AK94
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
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Product Description
Catalog Number:
AG01AK94
Chemical Name:
2-(furan-3-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1333946-90-9
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
MDL Number:
MFCD18292166
IUPAC Name:
2-(furan-3-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-8(11)6-3-9-7(13-6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChI Key:
SUETYXKNGRYXIQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)c1cocc1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties