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14776-02-4 | 5-Isoxazolemethanol, α-methyl-3-phenyl-
CAS No: 14776-02-4 Catalog No: AG001F71 MDL No:MFCD08443700
Product Description
Catalog Number:
AG001F71
Chemical Name:
5-Isoxazolemethanol, α-methyl-3-phenyl-
CAS Number:
14776-02-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD08443700
IUPAC Name:
2-(3-phenyl-1,2-oxazol-5-yl)ethanol
InChI:
InChI=1S/C11H11NO2/c13-7-6-10-8-11(12-14-10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
InChI Key:
SGJLIDCOJLSEJW-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)c1ccccc1)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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