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95104-46-4 | 3-Isoxazolemethanol, a,5-dimethyl-
CAS No: 95104-46-4 Catalog No: AG01BGHT MDL No:MFCD16547133
Product Description
Catalog Number:
AG01BGHT
Chemical Name:
3-Isoxazolemethanol, a,5-dimethyl-
CAS Number:
95104-46-4
MDL Number:
MFCD16547133
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)ethanol
InChI:
InChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3
InChI Key:
BRPQABWKQYZYQC-UHFFFAOYSA-N
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| gamma-Hydroxyalkynyl ketones as useful scaffolds for the preparation of combinatorial libraries of furans, isoxazoles and pyrazoles. | Journal of combinatorial chemistry 20040101 |
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