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312614-93-0

312614-93-0 | 5-(BENZOTHIAZOL-2-YLCARBAMOYL)-PENTANOIC ACID

CAS No: 312614-93-0 Catalog No: AG00BDKG MDL No:MFCD01077684

Product Description

Catalog Number:
AG00BDKG
Chemical Name:
5-(BENZOTHIAZOL-2-YLCARBAMOYL)-PENTANOIC ACID
CAS Number:
312614-93-0
MDL Number:
MFCD01077684
IUPAC Name:
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoic acid
InChI:
InChI=1S/C13H14N2O3S/c16-11(7-3-4-8-12(17)18)15-13-14-9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2,(H,17,18)(H,14,15,16)
InChI Key:
KUIGXJGQENXXEB-UHFFFAOYSA-N

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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