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53004-62-9 | 2-Propenoicacid,3-(2-benzothiazolyl)-,methylester(9CI)
CAS No: 53004-62-9 Catalog No: AG00E2QT MDL No:
Product Description
Catalog Number:
AG00E2QT
Chemical Name:
2-Propenoicacid,3-(2-benzothiazolyl)-,methylester(9CI)
CAS Number:
53004-62-9
IUPAC Name:
methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
InChI:
InChI=1S/C11H9NO2S/c1-14-11(13)7-6-10-12-8-4-2-3-5-9(8)15-10/h2-7H,1H3/b7-6+
InChI Key:
RMHXYHBNENTPOO-VOTSOKGWSA-N
Properties
Complexity:
267
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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