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1351597-05-1 | N-(4-Methoxy-1,3-benzothiazol-2-yl)-N-methylglycine
CAS No: 1351597-05-1 Catalog No: AG01APOR MDL No:MFCD21091835
Product Description
Catalog Number:
AG01APOR
Chemical Name:
N-(4-Methoxy-1,3-benzothiazol-2-yl)-N-methylglycine
CAS Number:
1351597-05-1
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
MDL Number:
MFCD21091835
IUPAC Name:
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetic acid
InChI:
InChI=1S/C11H12N2O3S/c1-13(6-9(14)15)11-12-10-7(16-2)4-3-5-8(10)17-11/h3-5H,6H2,1-2H3,(H,14,15)
InChI Key:
BNBABTNOLSOWOW-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(s2)N(CC(=O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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