Home Carboxys 5-Methoxybenzo[d]thiazole-2-carboxylic acid

5-Methoxybenzo[d]thiazole-2-carboxylic acid

CAS No.:
90322-41-1
Catalog Number:
AG006RUM
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
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Product Description
Catalog Number:
AG006RUM
Chemical Name:
5-Methoxybenzo[d]thiazole-2-carboxylic acid
CAS Number:
90322-41-1
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD11217491
IUPAC Name:
5-methoxy-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO3S/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
HZCUQHHEHCKENU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)C(=O)O
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:
1  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties