3,4-Dimethylisoxazolo[5,4-b]pyridin-6(7H)-one - CAS 19385-56-9
Catalog: |
BB053133 |
Product Name: |
3,4-Dimethylisoxazolo[5,4-b]pyridin-6(7H)-one |
CAS: |
19385-56-9 |
Synonyms: |
3,4-dimethyl-7-hydroisoxazolo[5,4-b]pyridin-6-one |
IUPAC Name: | 3,4-dimethyl-7H-[1,2]oxazolo[5,4-b]pyridin-6-one |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | CC1=CC(=O)NC2=C1C(=NO2)C |
InChI: | InChI=1S/C8H8N2O2/c1-4-3-6(11)9-8-7(4)5(2)10-12-8/h3H,1-2H3,(H,9,11) |
InChI Key: | LYRXCWXCVPKNKC-UHFFFAOYSA-N |
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: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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