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1339037-95-4 | [(Thiazol-5-ylmethyl)-amino]-acetic acid
CAS No: 1339037-95-4 Catalog No: AG01FBYC MDL No:
Product Description
Catalog Number:
AG01FBYC
Chemical Name:
[(Thiazol-5-ylmethyl)-amino]-acetic acid
CAS Number:
1339037-95-4
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
IUPAC Name:
2-(1,3-thiazol-5-ylmethylamino)acetic acid
InChI:
InChI=1S/C6H8N2O2S/c9-6(10)3-7-1-5-2-8-4-11-5/h2,4,7H,1,3H2,(H,9,10)
InChI Key:
SGPDTHLRKTTYLH-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cncs1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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