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115585-81-4 | 5-Benzothiazoleacetic acid, 6-hydroxy-
CAS No: 115585-81-4 Catalog No: AG000G76 MDL No:
Product Description
Catalog Number:
AG000G76
Chemical Name:
5-Benzothiazoleacetic acid, 6-hydroxy-
CAS Number:
115585-81-4
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
IUPAC Name:
2-(6-hydroxy-1,3-benzothiazol-5-yl)acetic acid
InChI:
InChI=1S/C9H7NO3S/c11-7-3-8-6(10-4-14-8)1-5(7)2-9(12)13/h1,3-4,11H,2H2,(H,12,13)
InChI Key:
ZHLGTYJEEFCZAP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2ncsc2cc1O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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