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904085-98-9 | 3-ISOTHIAZOL-5-YLBENZOIC ACID
CAS No: 904085-98-9 Catalog No: AG00GYF3 MDL No:
Product Description
Catalog Number:
AG00GYF3
Chemical Name:
3-ISOTHIAZOL-5-YLBENZOIC ACID
CAS Number:
904085-98-9
IUPAC Name:
3-(1,2-thiazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-4-5-11-14-9/h1-6H,(H,12,13)
InChI Key:
FOMBLNHQUFNKKY-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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