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104344-92-5 | Glycine, N-2-benzothiazolyl-N-methyl- (9CI)
CAS No: 104344-92-5 Catalog No: AG009OXY MDL No:MFCD09729971
Product Description
Catalog Number:
AG009OXY
Chemical Name:
Glycine, N-2-benzothiazolyl-N-methyl- (9CI)
CAS Number:
104344-92-5
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD09729971
IUPAC Name:
2-[1,3-benzothiazol-2-yl(methyl)amino]acetic acid
InChI:
InChI=1S/C10H10N2O2S/c1-12(6-9(13)14)10-11-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3,(H,13,14)
InChI Key:
USYIIHFJNNAEMI-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1nc2c(s1)cccc2)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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