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89102-73-8 | Isoxazol-3-ylmethanol
CAS No: 89102-73-8 Catalog No: AG00369U MDL No:MFCD07778413
Product Description
Catalog Number:
AG00369U
Chemical Name:
Isoxazol-3-ylmethanol
CAS Number:
89102-73-8
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD07778413
IUPAC Name:
1,2-oxazol-3-ylmethanol
InChI:
InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChI Key:
GBCAGXLDCTZCCT-UHFFFAOYSA-N
SMILES:
OCc1ccon1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Preclinical and clinical pharmacology of the GABAA receptor alpha5 subtype-selective inverse agonist alpha5IA. | Pharmacology & therapeutics 20100101 |
| GABA(A) receptor subtype-selective efficacy: TPA023, an alpha2/alpha3 selective non-sedating anxiolytic and alpha5IA, an alpha5 selective cognition enhancer. | CNS neuroscience & therapeutics 20080101 |
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