3-Cyclopropyl-6-oxo-6,7-dihydroisoxazolo[5,4-b]pyridine-4-carboxylic acid - CAS 1160246-15-0
Catalog: |
BB053038 |
Product Name: |
3-Cyclopropyl-6-oxo-6,7-dihydroisoxazolo[5,4-b]pyridine-4-carboxylic acid |
CAS: |
1160246-15-0 |
Synonyms: |
3-Cyclopropyl-6-oxo-6,7-dihydroisoxazolo[5,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 3-cyclopropyl-6-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 220.18 |
Molecular Formula: | C10H8N2O4 |
Canonical SMILES: | C1CC1C2=NOC3=C2C(=CC(=O)N3)C(=O)O |
InChI: | InChI=1S/C10H8N2O4/c13-6-3-5(10(14)15)7-8(4-1-2-4)12-16-9(7)11-6/h3-4H,1-2H2,(H,11,13)(H,14,15) |
InChI Key: | DBKMWQSRPPIHOQ-UHFFFAOYSA-N |
Boiling Point: | 510.4±50.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
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: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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