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1225655-70-8 | 2-(2-Hydroxy-ethylamino)-1-thiophen-2-yl-ethanone
CAS No: 1225655-70-8 Catalog No: AG01F979 MDL No:
Product Description
Catalog Number:
AG01F979
Chemical Name:
2-(2-Hydroxy-ethylamino)-1-thiophen-2-yl-ethanone
CAS Number:
1225655-70-8
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
2-(2-hydroxyethylamino)-1-thiophen-2-ylethanone
InChI:
InChI=1S/C8H11NO2S/c10-4-3-9-6-7(11)8-2-1-5-12-8/h1-2,5,9-10H,3-4,6H2
InChI Key:
WBULAHGRSRXXNR-UHFFFAOYSA-N
SMILES:
OCCNCC(=O)c1cccs1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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