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25755-82-2 | 3-(4-METHYLPHENYL)-5(4H)-ISOXAZOLONE
CAS No: 25755-82-2 Catalog No: AG00C13M MDL No:
Product Description
Catalog Number:
AG00C13M
Chemical Name:
3-(4-METHYLPHENYL)-5(4H)-ISOXAZOLONE
CAS Number:
25755-82-2
IUPAC Name:
3-(4-methylphenyl)-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)13-11-9/h2-5H,6H2,1H3
InChI Key:
IADHZJJQULYQGB-UHFFFAOYSA-N
Properties
Complexity:
239
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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