Methyl 2-Hydroxy-3-nitrobenzoate - CAS 22621-41-6
Catalog: |
BB017688 |
Product Name: |
Methyl 2-Hydroxy-3-nitrobenzoate |
CAS: |
22621-41-6 |
Synonyms: |
2-hydroxy-3-nitrobenzoic acid methyl ester; methyl 2-hydroxy-3-nitrobenzoate |
IUPAC Name: | methyl 2-hydroxy-3-nitrobenzoate |
Description: | Methyl 2-Hydroxy-3-nitrobenzoate (CAS# 22621-41-6) is an derivative of 3-Nitrosalicylic acid (N520905), which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
InChI: | InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,10H,1H3 |
InChI Key: | NIBVYEHAFBEVFI-UHFFFAOYSA-N |
Boiling Point: | 263.9 °C at 760 mmHg |
Density: | 1.432 g/cm3 |
MDL: | MFCD00272263 |
LogP: | 1.61020 |
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PMID | Publication Date | Title | Journal |
21582967 | 20090627 | Methyl 2-hydr-oxy-3-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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