[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid - CAS 462067-31-8
Catalog: |
BB047046 |
Product Name: |
[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid |
CAS: |
462067-31-8 |
Synonyms: |
2-(3-(1,2,3,4-tetraazolyl)phenoxy)acetic acid |
IUPAC Name: | 2-[3-(tetrazol-1-yl)phenoxy]acetic acid |
Description: | [3-(1H-Tetrazol-1-yl)phenoxy]acetic acid (CAS# 462067-31-8 ) is a useful research chemical. |
Molecular Weight: | 220.18 |
Molecular Formula: | C9H8N4O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OCC(=O)O)N2C=NN=N2 |
InChI: | InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-2-7(4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15) |
InChI Key: | IHKNZQHGINFJJV-UHFFFAOYSA-N |
Boiling Point: | 466.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.5 g/cm3 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.05964013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.05964013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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