200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 5930-94-9
5930-94-9 | 3-Nitro-1H-pyrrole
CAS No: 5930-94-9 Catalog No: AG003JTY MDL No:MFCD00059714
Product Description
Catalog Number:
AG003JTY
Chemical Name:
3-Nitro-1H-pyrrole
CAS Number:
5930-94-9
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00059714
IUPAC Name:
3-nitro-1H-pyrrole
InChI:
InChI=1S/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H
InChI Key:
LOJNBPNACKZWAI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]cc1
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Nitropyrrolins A-E, cytotoxic farnesyl-α-nitropyrroles from a marine-derived bacterium within the actinomycete family Streptomycetaceae. | Journal of natural products 20101227 |
| Cationic nucleoside lipids based on a 3-nitropyrrole universal base for siRNA delivery. | Bioconjugate chemistry 20090201 |
| Multicomponent domino [4+2]/[3+2] cycloadditions of nitroheteroaromatics: an efficient synthesis of fused nitrogenated polycycles. | Organic letters 20071011 |
| Computational evaluation of intermolecular interactions of a universal base 3-nitropyrrole in stacked dimers and DNA duplexes. | Journal of biomolecular structure & dynamics 20050601 |
| Improved allelic differentiation using sequence-specific oligonucleotide hybridization incorporating an additional base-analogue mismatch. | Nucleosides, nucleotides & nucleic acids 20040501 |
| Important factors stabilizing stacking interaction between 3-nitropyrrole and natural nucleobases revealed by ab initio calculations. | Nucleic acids research. Supplement (2001) 20030101 |
| Computational analysis of stacking interactions between 3-nitropyrrole and natural nucleobases. | Nucleic acids research. Supplement (2001) 20020101 |
| Effect of the universal base 3-nitropyrrole on the selectivity of neighboring natural bases. | Organic letters 20010628 |
| Peptide nucleic acid-DNA duplexes containing the universal base 3-nitropyrrole. | Methods (San Diego, Calif.) 20010201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.