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3027-99-4 | 6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)
CAS No: 3027-99-4 Catalog No: AG00BLLE MDL No:
Product Description
Catalog Number:
AG00BLLE
Chemical Name:
6-Benzothiazolepropiolicacid,2-methyl-(7CI,8CI)
CAS Number:
3027-99-4
IUPAC Name:
3-(2-methyl-1,3-benzothiazol-6-yl)prop-2-ynoic acid
InChI:
InChI=1S/C11H7NO2S/c1-7-12-9-4-2-8(3-5-11(13)14)6-10(9)15-7/h2,4,6H,1H3,(H,13,14)
InChI Key:
RXEZVCPHEHRNID-UHFFFAOYSA-N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.242g/mol
Monoisotopic Mass:
217.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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