Home Carboxys 5-Thiazolecarboxylic acid, 2-phenyl-, methyl ester

5-Thiazolecarboxylic acid, 2-phenyl-, methyl ester

CAS No.:
172678-68-1
Catalog Number:
AG00AMQ8
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG00AMQ8
Chemical Name:
5-Thiazolecarboxylic acid, 2-phenyl-, methyl ester
CAS Number:
172678-68-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD15142831
IUPAC Name:
methyl 2-phenyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C11H9NO2S/c1-14-11(13)9-7-12-10(15-9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
RRDBEPHWFIYCQH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)c1ccccc1
Properties
Complexity:
229  
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties