2-Hydroxy-5-(1H-tetrazol-1-yl)benzoic acid - CAS 339310-80-4
Catalog: |
BB050191 |
Product Name: |
2-Hydroxy-5-(1H-tetrazol-1-yl)benzoic acid |
CAS: |
339310-80-4 |
Synonyms: |
2-Hydroxy-5-tetrazol-1-yl-benzoic acid; 2-hydroxy-5-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid; 2-hydroxy-5-(1,2,3,4-tetraazolyl)benzoic acid; Benzoic acid, 2-hydroxy-5-(1H-tetrazol-1-yl)- |
IUPAC Name: | 2-hydroxy-5-(tetrazol-1-yl)benzoic acid |
Description: | 2-Hydroxy-5-(1H-tetrazol-1-yl)benzoic acid (CAS# 339310-80-4 ) is a useful research chemical. |
Molecular Weight: | 206.16 |
Molecular Formula: | C8H6N4O3 |
Canonical SMILES: | C1=CC(=C(C=C1N2C=NN=N2)C(=O)O)O |
InChI: | InChI=1S/C8H6N4O3/c13-7-2-1-5(3-6(7)8(14)15)12-4-9-10-11-12/h1-4,13H,(H,14,15) |
InChI Key: | GMGDTZSHJQPPKB-UHFFFAOYSA-N |
Boiling Point: | 483.4±55.0 °C (Predicted) |
Purity: | 95 % |
Density: | 1.70±0.1 g/cm3 (Predicted) |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.04399007 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.04399007 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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