Home Carboxys 4-Nitropyrrole-2-carboxylic acid hydrate

4-Nitropyrrole-2-carboxylic acid hydrate

CAS No.:
5930-93-8
Catalog Number:
AG003LUF
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$183
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Product Description
Catalog Number:
AG003LUF
Chemical Name:
4-Nitropyrrole-2-carboxylic acid hydrate
CAS Number:
5930-93-8
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
MDL Number:
MFCD00059928
IUPAC Name:
4-nitro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4N2O4/c8-5(9)4-1-3(2-6-4)7(10)11/h1-2,6H,(H,8,9)
InChI Key:
SNWGRRCTCGASCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(c1)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.097g/mol
Monoisotopic Mass:
156.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties