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

3-methoxy-5-phenylthiophene-2-carboxylic acid

CAS No.:
113589-49-4
Catalog Number:
AG019V3F
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019V3F
Chemical Name:
3-methoxy-5-phenylthiophene-2-carboxylic acid
CAS Number:
113589-49-4
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD12197016
IUPAC Name:
3-methoxy-5-phenylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H10O3S/c1-15-9-7-10(16-11(9)12(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)
InChI Key:
SHXNBNKHMSBRTL-UHFFFAOYSA-N
SMILES:
COc1cc(sc1C(=O)O)c1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.269g/mol
Monoisotopic Mass:
234.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties