Home Carboxys 2-Thiophenecarboxylic acid, 4-acetyl-

2-Thiophenecarboxylic acid, 4-acetyl-

CAS No.:
88105-23-1
Catalog Number:
AG004G31
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG004G31
Chemical Name:
2-Thiophenecarboxylic acid, 4-acetyl-
CAS Number:
88105-23-1
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD17977026
IUPAC Name:
4-acetylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6O3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3H,1H3,(H,9,10)
InChI Key:
XYGMOSFVNZUTEK-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(c1)C(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties