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29182-42-1 | 2-Benzothiazoleacetic acid, ethyl ester
CAS No: 29182-42-1 Catalog No: AG002XM7 MDL No:MFCD00546397
Product Description
Catalog Number:
AG002XM7
Chemical Name:
2-Benzothiazoleacetic acid, ethyl ester
CAS Number:
29182-42-1
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD00546397
IUPAC Name:
ethyl 2-(1,3-benzothiazol-2-yl)acetate
InChI:
InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChI Key:
VYMJUZXFYAREJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc2c(s1)cccc2
NSC Number:
621357
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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