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178487-06-4

178487-06-4 | 6-Benzothiazoleacetic acid, 2-methoxy-

CAS No: 178487-06-4 Catalog No: AG00262S MDL No:

Product Description

Catalog Number:
AG00262S
Chemical Name:
6-Benzothiazoleacetic acid, 2-methoxy-
CAS Number:
178487-06-4
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
2-(2-methoxy-1,3-benzothiazol-6-yl)acetic acid
InChI:
InChI=1S/C10H9NO3S/c1-14-10-11-7-3-2-6(5-9(12)13)4-8(7)15-10/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
SRIVYDJDSVNLSI-UHFFFAOYSA-N
SMILES:
COc1nc2c(s1)cc(cc2)CC(=O)O

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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