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158664-59-6 | 5(2H)-Isoxazolone, 3-hydroxy-2-methyl-4-phenyl-
CAS No: 158664-59-6 Catalog No: AG001QQT MDL No:
Product Description
Catalog Number:
AG001QQT
Chemical Name:
5(2H)-Isoxazolone, 3-hydroxy-2-methyl-4-phenyl-
CAS Number:
158664-59-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
5-hydroxy-2-methyl-4-phenyl-1,2-oxazol-3-one
InChI:
InChI=1S/C10H9NO3/c1-11-9(12)8(10(13)14-11)7-5-3-2-4-6-7/h2-6,13H,1H3
InChI Key:
SSXIPELMEFBFDH-UHFFFAOYSA-N
SMILES:
O=c1on(c(c1c1ccccc1)O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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