Isonicotinic acid N-oxide - CAS 13602-12-5
Catalog: |
BB008271 |
Product Name: |
Isonicotinic acid N-oxide |
CAS: |
13602-12-5 |
Synonyms: |
1-oxidopyridin-1-ium-4-carboxylic acid |
IUPAC Name: | 1-oxidopyridin-1-ium-4-carboxylic acid |
Description: | Isonicotinic acid N-oxide (CAS# 13602-12-5) is a useful research chemical compound. |
Molecular Weight: | 139.11 |
Molecular Formula: | C6H5NO3 |
Canonical SMILES: | C1=C[N+](=CC=C1C(=O)O)[O-] |
InChI: | InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9) |
InChI Key: | QCWTWMJMLSKQCJ-UHFFFAOYSA-N |
Boiling Point: | 469 °C at 760 mmHg |
Melting Point: | 270-271 °C |
Purity: | 95 % |
Density: | 1.34 g/cm3 |
Appearance: | White to off-white solid |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00006209 |
LogP: | 0.81330 |
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 |
Publication Number | Title | Priority Date |
CN-112316911-A | Dual-functional metal organic framework membrane material and preparation method and application thereof | 20201028 |
WO-2021199748-A1 | Composition, film, and optical sensor | 20200330 |
WO-2021060348-A1 | Heat-conducting layer production method, laminate production method, and semiconductor device production method | 20190926 |
WO-2021020463-A1 | Negative photosensitive resin composition, production method for polyimide, production method for cured relief pattern, and semiconductor device | 20190729 |
WO-2020262270-A1 | Composition, film, and optical sensor | 20190627 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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