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35195-80-3 | 4-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
CAS No: 35195-80-3 Catalog No: AG007FJ0 MDL No:
Product Description
Catalog Number:
AG007FJ0
Chemical Name:
4-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
CAS Number:
35195-80-3
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
4-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
InChI:
InChI=1S/C12H11NO2S/c1-7-3-4-9(12(14)15)5-10(7)11-13-8(2)6-16-11/h3-6H,1-2H3,(H,14,15)
InChI Key:
VQZGXZBEJGSPGP-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)c1cc(ccc1C)C(=O)O
Properties
Complexity:
272
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:
2.9
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