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454429-29-9 | ACRYLIC ACID 2-BENZOTHIAZOLYLMETHYL ESTER
CAS No: 454429-29-9 Catalog No: AG006ZNG MDL No:
Product Description
Catalog Number:
AG006ZNG
Chemical Name:
ACRYLIC ACID 2-BENZOTHIAZOLYLMETHYL ESTER
CAS Number:
454429-29-9
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
1,3-benzothiazol-2-ylmethyl prop-2-enoate
InChI:
InChI=1S/C11H9NO2S/c1-2-11(13)14-7-10-12-8-5-3-4-6-9(8)15-10/h2-6H,1,7H2
InChI Key:
OCOUTPICRKUQCZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCc1nc2c(s1)cccc2
Properties
Complexity:
257
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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