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Home Other Building Blocks 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one

1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one

CAS No.:
175203-51-7
Catalog Number:
AG0020J3
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$253
- +
5g
1 week
United States
$842
- +
10g
1 week
United States
$1602
- +
Product Description
Catalog Number:
AG0020J3
Chemical Name:
1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one
CAS Number:
175203-51-7
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
MDL Number:
MFCD00173926
IUPAC Name:
1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C11H12O2S/c1-8(12)10-5-4-9(14-10)6-7-11(2,3)13/h4-5,13H,1-3H3
InChI Key:
PXXNKLZPFBADFO-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)C#CC(O)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties