1,3-Dimethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1160246-28-5
Catalog: |
BB053060 |
Product Name: |
1,3-Dimethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1160246-28-5 |
Synonyms: |
1,3-dimethyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 207.19 |
Molecular Formula: | C9H9N3O3 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=O)N2)C(=O)O)C |
InChI: | InChI=1S/C9H9N3O3/c1-4-7-5(9(14)15)3-6(13)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)(H,14,15) |
InChI Key: | AHZKOAJLIGXULD-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: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.06439116 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.06439116 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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Pyrazoles
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