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1007873-56-4 | 2-methyl-4-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CAS No: 1007873-56-4 Catalog No: AG00H9BQ MDL No:MFCD11221428
Product Description
Catalog Number:
AG00H9BQ
Chemical Name:
2-methyl-4-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1007873-56-4
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD11221428
IUPAC Name:
2-methyl-4-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H11NO2S/c1-7-3-5-9(6-4-7)10-11(12(14)15)16-8(2)13-10/h3-6H,1-2H3,(H,14,15)
InChI Key:
LWNINXHAOHBMFD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(sc1C(=O)O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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