2-(4-Tetrazol-1-yl-phenoxy)-propionic acid - CAS 832740-17-7
Catalog: |
BB045362 |
Product Name: |
2-(4-Tetrazol-1-yl-phenoxy)-propionic acid |
CAS: |
832740-17-7 |
Synonyms: |
2-[4-(1H-tetrazol-1-yl)phenoxy]propanoic acid; 2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]propanoic acid; 2-(4-(1,2,3,4-tetraazolyl)phenoxy)propanoic acid |
IUPAC Name: | 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid |
Description: | 2-(4-Tetrazol-1-yl-phenoxy)-propionic acid (CAS# 832740-17-7 ) is a useful research chemical. |
Molecular Weight: | 234.21 |
Molecular Formula: | C10H10N4O3 |
Canonical SMILES: | CC(C(=O)O)OC1=CC=C(C=C1)N2C=NN=N2 |
InChI: | InChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-8(3-5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16) |
InChI Key: | LQXQKXFJECQNIC-UHFFFAOYSA-N |
Solubility: | 19.6 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.07529019 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.07529019 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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