Home Carboxys 3-Methoxy-5-methylthiophene-2-carboxylic acid

3-Methoxy-5-methylthiophene-2-carboxylic acid

CAS No.:
83261-26-1
Catalog Number:
AG004U92
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG004U92
Chemical Name:
3-Methoxy-5-methylthiophene-2-carboxylic acid
CAS Number:
83261-26-1
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD17012773
IUPAC Name:
3-methoxy-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H8O3S/c1-4-3-5(10-2)6(11-4)7(8)9/h3H,1-2H3,(H,8,9)
InChI Key:
IYTOVCKSPJGCOJ-UHFFFAOYSA-N
SMILES:
COc1cc(sc1C(=O)O)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties