Home Carboxys 3-Nitrothiophene-2,5-dicarboxylic acid

3-Nitrothiophene-2,5-dicarboxylic acid

CAS No.:
1437794-39-2
Catalog Number:
AG00HWZ1
Molecular Formula:
C6H3NO6S
Molecular Weight:
217.1561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
In Stock USA
United States
$157
- +
1g
90%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG00HWZ1
Chemical Name:
3-Nitrothiophene-2,5-dicarboxylic acid
CAS Number:
1437794-39-2
Molecular Formula:
C6H3NO6S
Molecular Weight:
217.1561
MDL Number:
MFCD24448758
IUPAC Name:
3-nitrothiophene-2,5-dicarboxylic acid
InChI:
InChI=1S/C6H3NO6S/c8-5(9)3-1-2(7(12)13)4(14-3)6(10)11/h1H,(H,8,9)(H,10,11)
InChI Key:
HIYMPHGMRCPBIG-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.968g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.151g/mol
Monoisotopic Mass:
216.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties