Home Carboxys 5-(Methoxycarbonyl)thiophene-2-carboxylic acid

5-(Methoxycarbonyl)thiophene-2-carboxylic acid

CAS No.:
50340-79-9
Catalog Number:
AG00DC5X
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$62
- +
5g
95%
In Stock USA
United States
$212
- +
10g
95%
In Stock USA
United States
$362
- +
25g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00DC5X
Chemical Name:
5-(Methoxycarbonyl)thiophene-2-carboxylic acid
CAS Number:
50340-79-9
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
MDL Number:
MFCD01203161
IUPAC Name:
5-methoxycarbonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
HYHZGBOWRWIEGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties