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53004-25-4 | 2-Propynoicacid,3-(2-benzothiazolyl)-(9CI)
CAS No: 53004-25-4 Catalog No: AG00E2QS MDL No:
Product Description
Catalog Number:
AG00E2QS
Chemical Name:
2-Propynoicacid,3-(2-benzothiazolyl)-(9CI)
CAS Number:
53004-25-4
IUPAC Name:
3-(1,3-benzothiazol-2-yl)prop-2-ynoic acid
InChI:
InChI=1S/C10H5NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,(H,12,13)
InChI Key:
KPLMXDCTVBOXIT-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.215g/mol
Monoisotopic Mass:
203.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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