Home Carboxys 3-ethoxy-5-phenylthiophene-2-carboxylic acid

3-ethoxy-5-phenylthiophene-2-carboxylic acid

CAS No.:
113589-47-2
Catalog Number:
AG019V3G
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019V3G
Chemical Name:
3-ethoxy-5-phenylthiophene-2-carboxylic acid
CAS Number:
113589-47-2
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
MDL Number:
MFCD12197017
IUPAC Name:
3-ethoxy-5-phenylthiophene-2-carboxylic acid
InChI:
InChI=1S/C13H12O3S/c1-2-16-10-8-11(17-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChI Key:
MOYWXOIHUAIRAN-UHFFFAOYSA-N
SMILES:
CCOc1cc(sc1C(=O)O)c1ccccc1
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties