Home Carboxys 5-Methyl-4-nitrothiophene-2-carboxylic acid

5-Methyl-4-nitrothiophene-2-carboxylic acid

CAS No.:
36050-35-8
Catalog Number:
AG003HMS
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003HMS
Chemical Name:
5-Methyl-4-nitrothiophene-2-carboxylic acid
CAS Number:
36050-35-8
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
MDL Number:
MFCD00507024
IUPAC Name:
5-methyl-4-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5NO4S/c1-3-4(7(10)11)2-5(12-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
HUDBBNDAVUUGEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(sc1C)C(=O)O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.169g/mol
Monoisotopic Mass:
186.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties