Home Carboxys 3-(benzyloxy)-5-methylthiophene-2-carboxylic acid

3-(benzyloxy)-5-methylthiophene-2-carboxylic acid

CAS No.:
113589-53-0
Catalog Number:
AG01C2NT
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C2NT
Chemical Name:
3-(benzyloxy)-5-methylthiophene-2-carboxylic acid
CAS Number:
113589-53-0
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
MDL Number:
MFCD19093399
IUPAC Name:
5-methyl-3-phenylmethoxythiophene-2-carboxylic acid
InChI:
InChI=1S/C13H12O3S/c1-9-7-11(12(17-9)13(14)15)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChI Key:
LGAUMELFFSJUBU-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)OCc1ccccc1)C(=O)O
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:
3.3  
Properties