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30740-99-9 | 2-Benzothiazolecarboxaldehyde,4-hydroxy-,acetate(ester)(8CI)
CAS No: 30740-99-9 Catalog No: AG00BLMT MDL No:
Product Description
Catalog Number:
AG00BLMT
Chemical Name:
2-Benzothiazolecarboxaldehyde,4-hydroxy-,acetate(ester)(8CI)
CAS Number:
30740-99-9
IUPAC Name:
(2-formyl-1,3-benzothiazol-4-yl) acetate
InChI:
InChI=1S/C10H7NO3S/c1-6(13)14-7-3-2-4-8-10(7)11-9(5-12)15-8/h2-5H,1H3
InChI Key:
ZSNMZJYCAKABJN-UHFFFAOYSA-N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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