Home Other Building Blocks 2-(3-oxo-1,3-dihydro-2,1-benzothiazol-1-yl)acetic acid

2-(3-oxo-1,3-dihydro-2,1-benzothiazol-1-yl)acetic acid

CAS No.:
55114-02-8
Catalog Number:
AG01ARC9
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01ARC9
Chemical Name:
2-(3-oxo-1,3-dihydro-2,1-benzothiazol-1-yl)acetic acid
CAS Number:
55114-02-8
MDL Number:
MFCD09743284
IUPAC Name:
2-(3-oxo-2,1-benzothiazol-1-yl)acetic acid
InChI:
InChI=1S/C9H7NO3S/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14-10/h1-4H,5H2,(H,11,12)
InChI Key:
RMUQBPKTERUXJS-UHFFFAOYSA-N
Properties
Complexity:
269  
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:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties