(3-Ethyl-5-isoxazolyl)methanol - CAS 14716-90-6
Catalog: |
BB010172 |
Product Name: |
(3-Ethyl-5-isoxazolyl)methanol |
CAS: |
14716-90-6 |
Synonyms: |
(3-ethyl-1,2-oxazol-5-yl)methanol |
IUPAC Name: | (3-ethyl-1,2-oxazol-5-yl)methanol |
Description: | (3-Ethyl-5-isoxazolyl)methanol (CAS# 14716-90-6) is a useful research chemical. |
Molecular Weight: | 127.14 |
Molecular Formula: | C6H9NO2 |
Canonical SMILES: | CCC1=NOC(=C1)CO |
InChI: | InChI=1S/C6H9NO2/c1-2-5-3-6(4-8)9-7-5/h3,8H,2,4H2,1H3 |
InChI Key: | PUWYXPHAQNCKLQ-UHFFFAOYSA-N |
Boiling Point: | 253.5 °C at 760 mmHg |
Density: | 1.134 g/cm3 |
MDL: | MFCD11048458 |
LogP: | 0.72930 |
Publication Number | Title | Priority Date |
JP-2021506775-A | Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine | 20171214 |
JP-2021506780-A | Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine | 20171214 |
JP-2019524689-A | 1H-pyrazolo [4,3-b] pyridine as a PDE1 inhibitor | 20160704 |
US-2015166569-A1 | Tricyclic compounds and methods of use therefor | 20120217 |
US-2015374705-A1 | Substances for treatment or relief of pain | 20120214 |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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