Home Carboxys 2-Methyl-5-phenylthiazole-4-carboxylic acid

2-Methyl-5-phenylthiazole-4-carboxylic acid

CAS No.:
13743-09-4
Catalog Number:
AG007LKA
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG007LKA
Chemical Name:
2-Methyl-5-phenylthiazole-4-carboxylic acid
CAS Number:
13743-09-4
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD04178838
IUPAC Name:
2-methyl-5-phenyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key:
IUPHMHDVSPSLME-UHFFFAOYSA-N
SMILES:
Cc1nc(c(s1)c1ccccc1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties