Home Carboxys 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid

5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid

CAS No.:
1240526-58-2
Catalog Number:
AG01A9PX
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
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Product Description
Catalog Number:
AG01A9PX
Chemical Name:
5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CAS Number:
1240526-58-2
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD16622187
IUPAC Name:
5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid
InChI:
InChI=1S/C9H7NO3S/c1-5-10-7(4-14-5)8-2-6(3-13-8)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
RIRGICPHIMIPQF-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1occ(c1)C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties