6-Isopropoxynicotinic acid - CAS 223127-05-7
Catalog: |
BB076913 |
Product Name: |
6-Isopropoxynicotinic acid |
CAS: |
223127-05-7 |
Synonyms: |
3-Pyridinecarboxylic acid, 6-(1-methylethoxy)- |
IUPAC Name: | 6-propan-2-yloxypyridine-3-carboxylic acid |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CC(C)OC1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C9H11NO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6H,1-2H3,(H,11,12) |
InChI Key: | OOIMOWCIYNEWCF-UHFFFAOYSA-N |
Boiling Point: | 300.4±22.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Solid |
Storage: | Store at RT |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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