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20077-85-4 | 5-Benzothiazoleacrylicacid,2-methyl-(7CI,8CI)
CAS No: 20077-85-4 Catalog No: AG00BLNW MDL No:
Product Description
Catalog Number:
AG00BLNW
Chemical Name:
5-Benzothiazoleacrylicacid,2-methyl-(7CI,8CI)
CAS Number:
20077-85-4
IUPAC Name:
(E)-3-(2-methyl-1,3-benzothiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-12-9-6-8(3-5-11(13)14)2-4-10(9)15-7/h2-6H,1H3,(H,13,14)/b5-3+
InChI Key:
HYIYDUMHBJXDJU-HWKANZROSA-N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
2.7
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