2-Nitrofuran-3-carboxylic Acid
Catalog: |
BB058759 |
Product Name: |
2-Nitrofuran-3-carboxylic Acid |
Synonyms: |
2-Nitrofuran-3-carboxylic acid |
IUPAC Name: | 2-nitrofuran-3-carboxylic acid |
Description: | 2-Nitrofuran-3-carboxylic Acid is an intermediate in synthesizing 2,4-Dichlorofuro[2,3-d]pyrimidine, a furopyrimidine derivative used in the preparation of phosphoinositide 3-kinase inhibitor. |
Molecular Weight: | 157.08 |
Molecular Formula: | C5H3NO5 |
Canonical SMILES: | C1=COC(=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C5H3NO5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8) |
InChI Key: | NBLCGWFRMLKYFS-UHFFFAOYSA-N |
Solubility: | DMSO; Methanol |
Appearance: | Yellow Solid |
Storage: | -20°C Freezer |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0011222 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0011222 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 96.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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