Home Sulfos 5-methanesulfonyl-1H-pyrrole-2-carboxylic acid

5-methanesulfonyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1368085-26-0
Catalog Number:
AG01BXYJ
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BXYJ
Chemical Name:
5-methanesulfonyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1368085-26-0
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
MDL Number:
MFCD22062858
IUPAC Name:
5-methylsulfonyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H7NO4S/c1-12(10,11)5-3-2-4(7-5)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key:
OOYWEECLLQOIBG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc([nH]1)S(=O)(=O)C
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.185g/mol
Monoisotopic Mass:
189.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties