4-Pyridylacetic acid hydrochloride - CAS 6622-91-9
Catalog: |
BB032940 |
Product Name: |
4-Pyridylacetic acid hydrochloride |
CAS: |
6622-91-9 |
Synonyms: |
2-pyridin-4-ylacetic acid;hydrochloride |
IUPAC Name: | 2-pyridin-4-ylacetic acid;hydrochloride |
Description: | 4-Pyridylacetic acid hydrochloride (CAS# 6622-91-9) is used in the preparation of a highly tumor-selective organometallic ruthenium(II)-Arene complex. |
Molecular Weight: | 173.60 |
Molecular Formula: | C7H7NO2 · HCl |
Canonical SMILES: | C1=CN=CC=C1CC(=O)O.Cl |
InChI: | InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H |
InChI Key: | WKJRYVOTVRPAFN-UHFFFAOYSA-N |
Boiling Point: | 303.8 °C at 760 mmHg |
Melting Point: | 139-141 °C |
Purity: | 99 % |
Appearance: | Almost white to orange powder |
MDL: | MFCD00012827 |
LogP: | 1.51070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Carbonyl Compounds
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