1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester
CAS Number: 13138-73-3
Product Number: AG000W2N(AGN-PC-040L2M)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O4
Molecular Weight: 170.1228

Identification/Properties


Computed Properties
Molecular Weight:
170.124g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
170.033g/mol
Monoisotopic Mass:
170.033g/mol
Topological Polar Surface Area:
87.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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