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1353000-09-5 | N-(5,6-DIMETHYL-1,3-BENZOTHIAZOL-2-YL)-N-METHYLGLYCINE
CAS No: 1353000-09-5 Catalog No: AG01APPC MDL No:MFCD21091856
Product Description
Catalog Number:
AG01APPC
Chemical Name:
N-(5,6-DIMETHYL-1,3-BENZOTHIAZOL-2-YL)-N-METHYLGLYCINE
CAS Number:
1353000-09-5
MDL Number:
MFCD21091856
IUPAC Name:
2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetic acid
InChI:
InChI=1S/C12H14N2O2S/c1-7-4-9-10(5-8(7)2)17-12(13-9)14(3)6-11(15)16/h4-5H,6H2,1-3H3,(H,15,16)
InChI Key:
YEUYOPDFWZKBHO-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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