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Home > Thiazole > 1261236-29-6
1261236-29-6 | 4-(3-Methyl-isothiazol-5-yl)-benzoic acid
CAS No: 1261236-29-6 Catalog No: AG01FGY3 MDL No:
Product Description
Catalog Number:
AG01FGY3
Chemical Name:
4-(3-Methyl-isothiazol-5-yl)-benzoic acid
CAS Number:
1261236-29-6
IUPAC Name:
4-(3-methyl-1,2-thiazol-5-yl)benzoic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-6-10(15-12-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
AQNUMPFWFDRHHK-UHFFFAOYSA-N
Properties
Complexity:
239
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:
2.6
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