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1353947-04-2 | [Methyl-(1-thiazol-2-yl-ethyl)-amino]-acetic acid
CAS No: 1353947-04-2 Catalog No: AG01F99B MDL No:
Product Description
Catalog Number:
AG01F99B
Chemical Name:
[Methyl-(1-thiazol-2-yl-ethyl)-amino]-acetic acid
CAS Number:
1353947-04-2
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
IUPAC Name:
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
InChI:
InChI=1S/C8H12N2O2S/c1-6(8-9-3-4-13-8)10(2)5-7(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:
QBEAPTYHLGDRRH-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(c1nccs1)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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