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90924-12-2 | (3-Phenyl-5-isoxazolyl)methanol
CAS No: 90924-12-2 Catalog No: AG006GFD MDL No:MFCD01928812
Product Description
Catalog Number:
AG006GFD
Chemical Name:
(3-Phenyl-5-isoxazolyl)methanol
CAS Number:
90924-12-2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01928812
IUPAC Name:
(3-phenyl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChI Key:
CITYOBPAADIHAD-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| (3-Phenyl-isoxazol-5-yl)methanol. | Acta crystallographica. Section E, Structure reports online 20100301 |
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